[ CAS No. 2005-10-9 ] {[proInfo.proName]}

Name: 2005-10-9|6H-Benzo[c]chromen-6-one|96%
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Quality Control of [ 2005-10-9 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 2005-10-9 ]

Product Details of [ 2005-10-9 ]

CAS No. :	2005-10-9	MDL No. :	MFCD00027376
Formula :	C₁₃H₈O₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	TVKNXKLYVUVOCV-UHFFFAOYSA-N
M.W :	196.20	Pubchem ID :	16173
Synonyms :

Calculated chemistry of [ 2005-10-9 ]

Physicochemical Properties

Num. heavy atoms :	15
Num. arom. heavy atoms :	14
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	2.0
Num. H-bond donors :	0.0
Molar Refractivity :	59.99
TPSA :	30.21 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.34 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.16
Log Po/w (XLOGP3) :	3.04
Log Po/w (WLOGP) :	2.95
Log Po/w (MLOGP) :	2.87
Log Po/w (SILICOS-IT) :	3.5
Consensus Log Po/w :	2.9

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-3.66
Solubility :	0.0427 mg/ml ; 0.000218 mol/l
Class :	Soluble
Log S (Ali) :	-3.34
Solubility :	0.0896 mg/ml ; 0.000457 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-5.29
Solubility :	0.00101 mg/ml ; 0.00000513 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.92

Safety of [ 2005-10-9 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H332-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 2005-10-9 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 2005-10-9 ]

[ 2005-10-9 ] Synthesis Path-Downstream 1~32

1
[ 229-95-8 ]
[ 2005-10-9 ]

Yield	Reaction Conditions	Operation in experiment
91%	With pyridinium chlorochromate; In dichloromethane; for 36h;Reflux;	6H-benzo[c]chromene (0.5 mmol) was placed in a 100 mL round-bottom flask anddissolved with DCM (25 mL). PCC (0.5 mmol) was added and the mixture stirredunder reflux for 12 h. Then PCC (1.0 mmol) was added into the mixture andcontinued to stir for a further 24 h. After cooling to room temperature, water (15 mL)and diethyl ether (30 mL) were added. The mixture was filtered to get the filtrate, andextracted with brine, dried with Na2SO4, evaporated under vacuum, then the crudeproduct was purified by column chromatography (EA/PE=1:8).

Reference： [1]Heterocycles,2013,vol. 87,p. 1889 - 1896
[2]Chemical Communications,2011,vol. 47,p. 9813 - 9815
[3]Synlett,2018,vol. 29,p. 2311 - 2315
[4]Organic Letters,2015,vol. 17,p. 5492 - 5495
[5]Green Chemistry,2012,vol. 14,p. 3429 - 3435
[6]Journal of the Chemical Society,1958,p. 1544,1548
[7]Journal of the Chemical Society,1958,p. 1544,1548
[8]Journal of the Indian Chemical Society,1989,vol. 66,p. 673 - 680

2
[ 486-25-9 ]
[ 2005-10-9 ]

Yield	Reaction Conditions	Operation in experiment
80%	With 1,2-diphenyl-1,1,2,2-tetrahydroperoxyethane; potassium hydrogencarbonate; In acetonitrile; at 40℃; for 12h;	General procedure: To a mixture of ketone (1 mmol) in CH3CN (4 mL), THPDPE (1 mmol) and KHCO3 (1 mmol) were added and the solution was stirred at room temperature. After the completion of the reaction, as monitored by TLC, Na2SO3 (3 M, 1mL) and saturated NaCl (5 mL) were added to the mixture and the corresponding products were extracted with CHCl3 (3 × 5 mL). All of the products were characterized on the basis of their melting points, IR, 1H NMR, and 13C NMR spectral analysis and compared with those reported
66%	With sulfuric acid; dihydrogen peroxide; acetic acid; at 0℃; for 18h;	9-Fluorenone (5.00 g, 27.7 mmol) was added to glacial acetic acid (75 mL). The mixture was cooled (0C) in an ice bath and stirred. Concentrated sulfuric acid (50 mL) was added dropwise to the mixture. Hydrogen Peroxide (30%, 15 mL) was added dropwise to the previous mixture. The cooling bath was removed and the mixture was stirred for 18 hr. The reaction mixture was poured onto ice and the resulting precipitate was vacuum filtered. The precipitate was then dissolved in ethyl acetate and washed three times with water (100 mL) followed by sat. NaHCO3 (50 mL). The organic layer was dried with anhydrous sodium sulfate, filtered and the solvent was removed under reduced pressure. The crude product was recrystallized in 95% ethanol to achieve 4 as a tan solid (3.58 g, 18.2 mmol) in a 66% yield. 1H NMR (400 MHz, CDCl3): delta 8.41 (dd, J = 7.9, 1.0 Hz, 1H), 8.13 (d, J = 8.3 Hz, 1H), 8.07 (dd, J = 8.0,1.5 Hz, 1H), 7.83 (t, J = 7.8 Hz, 1H), 7.59 (t, J = 7.8 Hz, 1H), 7.48 (t, J = 8.0 Hz, 1H), 7.38-7.32 (m, 2H). The experimental 1H NMR matches the known spectra.2
66%	With sulfuric acid; dihydrogen peroxide; acetic acid; at 0℃; for 18h;Heating;	9-fluorenone (5.00g, 27.7 mmol) was added to glacial acetic acid (75 mL). The mixture was cooled (0C) in an ice bath and stirred. Concentrated sulfuric acid (50 mL) was added dropwise to the mixture. Hydrogen Peroxide (30%, 15 mL) was added dropwise to the previous mixture. The cooling bath was removed and the mixture was stirred for 18 hours. The reaction mixture was poured onto ice and the resulting precipitate was vacuum filtered. The precipitate was then dissolved in ethyl acetate and washed three times with water (100 mL) followed by sat. NaHCO3 (50 mL). The organic layer was dried with anhydrous sodium sulfate, filtered and the solvent was removed under reduced pressure. The crude product was recrystallized in 95% ethanol to achieve 4 as an off-white solid (3.58 g, 18.2 mmol) in a 66% yield. 1H NMR (400 MHz, CDCl3): delta 8.41 (dd, J = 7.9 Hz, J = 1.0 Hz, 1H), 8.13 (d, J = 8.3 Hz, 1H), 8.07 (dd, J = 8.0 Hz, J = 1.5 Hz, 1H), 7.83 (t, J = 7.8 Hz, 1H), 7.59 (t, J = 7.8 Hz, 1H), 7.48 (t, J = 8.0 Hz, 1H), 7.38-7.32 (m, 2H). The experimental 1H NMR matches the known spectra.

Reference： [1]Journal of Chemical Research - Part S,2000,p. 196 - 197
[2]Tetrahedron,2018,vol. 74,p. 6584 - 6592
[3]European Journal of Inorganic Chemistry,2007,p. 944 - 964
[4]Tetrahedron Letters,2012,vol. 53,p. 6245 - 6249,5
[5]Tetrahedron Letters,2012,vol. 53,p. 6433 - 6435
[6]Chemistry - A European Journal,2014,vol. 20,p. 11664 - 11668
[7]Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy,1985,vol. 41,p. 913 - 924
[8]Synthesis,1991,p. 739 - 740
[9]Helvetica Chimica Acta,2000,vol. 83,p. 801 - 826
[10]RSC Advances,2014,vol. 4,p. 40859 - 40864
[11]Chemische Berichte,1940,vol. 73,p. 295
[12]Journal of the American Chemical Society,1950,vol. 72,p. 5515
[13]Synthetic Communications,2011,vol. 41,p. 3678 - 3682

3
[ 947-84-2 ]
[ 2005-10-9 ]

Yield	Reaction Conditions	Operation in experiment
99%	With tert.-butylnitrite; oxygen; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In 1,2-dichloro-ethane; at 20℃; for 12h;Irradiation; Sealed tube;Catalytic behavior;	In a 35 mL sealed tube equipped with a magnetic stir bar, 0.5 mmol of 2-phenylbenzoic acid (formula (1-1)), 0.025 mmol of DDQ, and 4 mL of 1,2-dichloroethane were added and replaced with oxygen. Air in the tube, then 0.025 mmol of TBN was added to seal the bottle mouth. After reacting for 12 hours at room temperature under the irradiation of an 18W blue LED lamp, the solvent was distilled off under reduced pressure, and then separated by column chromatography. The mixture containing petroleum ether / ethyl acetate in a volume ratio of 50: 1 was used as the eluent to collect the target compound. The eluate was distilled off the solvent to obtain the product benzocoumarin, and the isolated yield was 99%.
95%	With water; copper; potassium carbonate; Selectfluor; In acetonitrile; at 25℃; for 24h;Mechanism;	8 (0.3 mmol), Cu(0) powder (1.92 mg, 10 mol %), Selectfluor (212.6 mg, 0.6 mmol), K2CO3 (82.8 mg, 0.6 mmol) and CH3CN (3 mL) were added to a 10-mL flask. Then the reaction mixture was stirred at 25 C for 24 h. Upon completion, the resulting mixture was diluted with CH2Cl2 (10 mL) and filtered through Celite. After evaporation of the solvent under vacuum, the residue was purified by column chromatography on silica gel (100-200 mesh) using petroleum ether-EtOAc (20/1, V/V) as eluent to give pure 2a (55.9 mg, 95%).
94%	With 2,6-dimethylpyridine; tetrabutylammonium perchlorate; 2,3-dicyano-5,6-dichloro-p-benzoquinone; at 20℃;Electrolysis;Mechanism;	General procedure: To an oven-dried, undivided electrochemical cell equipped with a magnetic stir bar, a Glass Carbon plate anode (10.0 mm × 20.0 mm),and a graphite plate cathode (10.0 mm × 30.0 mm) were added redoxcatalyst-DDQ (10 mol%), [1,1'-biphenyl]-2-carboxylic acidid 1 (0.10 mmol).Then electrolyte solution (0.1 M nBu 4 NClO 4 in HFIP, 2.0 mL), and 2,6-lutidine (20 mol%) was added. The mixture was then stirred for 10min. After that, the electrolysis was initiated at a control current of5.0 mA. Each reaction was terminated upon full consumption of start-ing material as determined by TLC analysis. The entire mixture wasthen transferred to a chromatography column (silica gel, petroleumether/EtOAc 9:1-4:1) to afford the desired product.

86%

With N-iodo-succinimide; In 1,2-dichloro-ethane; at 75℃; for 4h;Irradiation;

General procedure: To a solution of 2-arylbenzoic acid 1 (0.5 mmol) in ClCH2CH2Cl (3mL) was added NIS (1.25 mmol) in one portion; the mixture was heated to 75 C for 4 h. After completion of the reaction, EtOAc (10mL) was added and the mixture was washed with sat. Na2S2O3 (5mL), then with H2O (2 × 5 mL). The organic layer was dried (anhyd Na2SO4) and concentrated in vacuo. The crude products were purified by column chromatography (silica gel, PE-EtOAc, 50:1) to provide the product 2. All the products were confirmed by 1H and 13C NMR spectra and new compounds were reconfirmed additionally by HRMS.

Reference： [1]Tetrahedron Letters,1995,vol. 36,p. 7089 - 7092
[2]Tetrahedron Letters,1995,vol. 36,p. 7089 - 7092
[3]Journal of the Chemical Society. Perkin transactions I,1999,p. 1713 - 1716
[4]Organic Letters,2018,vol. 20,p. 252 - 255
[5]Journal of Organic Chemistry,2018,vol. 83,p. 3582 - 3589
[6]Patent: CN110862368,2020,A .Location in patent: Paragraph 0027-0036
[7]Synlett,2020,vol. 31,p. 261 - 266
[8]Journal of the American Chemical Society,2013,vol. 135,p. 9350 - 9353
[9]Angewandte Chemie - International Edition,2014,vol. 53,p. 11084 - 11087
Angew. Chem.,2014,vol. 126,p. 11264 - 11267,4
[10]Tetrahedron,2017,vol. 73,p. 154 - 163
[11]Synlett,2010,p. 2325 - 2329
[12]Synthesis,2018,vol. 50,p. 2924 - 2929
[13]Organic Letters,2013,vol. 15,p. 2574 - 2577
[14]Chemistry - A European Journal,2013,vol. 19,p. 15836 - 15840
[15]Journal of Organic Chemistry,2015,vol. 80,p. 911 - 919
[16]Chemistry - A European Journal,2018,vol. 24,p. 12509 - 12514
[17]Organic Letters,2020,vol. 22,p. 1385 - 1389
[18]Advanced Synthesis and Catalysis,2020,vol. 362,p. 184 - 191
[19]Chemistry - A European Journal,2018,vol. 24,p. 6932 - 6935
[20]Chinese Journal of Chemistry,2018,vol. 36,p. 619 - 624
[21]Organic and Biomolecular Chemistry,2020,vol. 18,p. 983 - 987
[22]Chemical Science,2017,vol. 8,p. 3618 - 3622
[23]Patent: CN111499607,2020,A .Location in patent: Paragraph 0031-0040; 0051-0064; 0066-0073; 0075-0080
[24]Journal of Organic Chemistry,2018,vol. 83,p. 3200 - 3207
[25]Organic Letters,2015,vol. 17,p. 4550 - 4553
[26]Synthesis,2014,vol. 46,p. 343 - 347
[27]Chemistry - A European Journal,2019,vol. 25,p. 4325 - 4329
[28]Organic and Biomolecular Chemistry,2019,vol. 17,p. 4212 - 4215
[29]Organic Letters,2018,vol. 20,p. 1316 - 1319
[30]Organic Syntheses,2018,vol. 95,p. 97 - 111
[31]Journal of the American Chemical Society,1991,vol. 113,p. 7676 - 7684
[32]Journal of the Chemical Society. Perkin transactions I,1981,p. 842 - 848
[33]Journal of the Chemical Society. Perkin transactions I,1981,p. 842 - 848
[34]Tetrahedron,1957,vol. 1,p. 259,267
[35]Tetrahedron,1957,vol. 1,p. 259,267
[36]Tetrahedron,1957,vol. 1,p. 259,267
[37]Journal of the Chemical Society. Perkin transactions I,1997,p. 787 - 793
[38]Journal of Chemical Research,2009,p. 283 - 286
[39]Journal of the American Chemical Society,2020

4
[ 2005-10-9 ]
[ 4445-30-1 ]

Yield	Reaction Conditions	Operation in experiment
98%	With sodium hydroxide; In water; acetonitrile; at 20℃;	2a (58.8 mg, 0.3 mmol) and MeCN (3 mL) was added to a flask (10 mL), then NaOH aqueous solution (5% (W/W), 2 mL) was dropped. After stired for 3 h at room temperature, the reaction mixture was wished with CH2Cl2 (3 5 mL) and filtered through Celite. After evaporation of the solvent under vacuum, the residue was purified by column chromatography on silica gel (100-200 mesh) using petroleum ether-EtOAc (10/1, V/V) as eluent to give pure 5. 4.3.35. 20-Hydroxy-(1,10-biphenyl)-2-carboxylic acid (5) Prepared from <strong>[2005-10-9]6H-benzo[c]chromen-6-one</strong>; isolated as white solid (63.0 mg, 98%), m.p. 90-91 C (lit.25 93 C); 1H NMR(500 MHz, CDCl3): d 8.41 (d, J 7.5 Hz, 1H), 8.13 (d, J 8.0 Hz, 1H),8.07 (d, J 8.0 Hz, 1H), 7.84 (t, J 7.5 Hz, 1H), 7.60 (t, J 7.0 Hz, 1H),7.49 (t, J 8.0 Hz, 1H), 7.39e7.34 (m, 2H); 13C NMR (125 MHz,CDCl3): d 161.2,151.3,134.82,134.77,130.6,130.4,128.9,124.5,122.8,121.7, 121.3, 118.1, 117.8.

Reference： [1]Tetrahedron,2017,vol. 73,p. 154 - 163
[2]Journal of Organic Chemistry,2015,vol. 80,p. 911 - 919
[3]Organic Letters,2018,vol. 20,p. 252 - 255
[4]Journal of the American Chemical Society,1980,vol. 102,p. 4815 - 4821

5
[ 2005-10-9 ]
[ 74-88-4 ]
[ 63506-58-1 ]

Reference： [1]Organic Letters,2015,vol. 17,p. 4550 - 4553
[2]Chemistry - A European Journal,2013,vol. 19,p. 15836 - 15840
[3]Tetrahedron,1996,vol. 52,p. 11307 - 11320
[4]Organic Syntheses,2018,vol. 95,p. 97 - 111

6
2-bromo-benzoic acid 2-methoxy-phenyl ester [ No CAS ]
[ 2005-10-9 ]
[ 531-37-3 ]

Yield	Reaction Conditions	Operation in experiment
1: 34% 2: 41%	With 2,2'-azobis(isobutyronitrile); tris-(trimethylsilyl)silane In benzene at 80℃;

Reference： [1]Zhang, Wei; Pugh, Georgia [Tetrahedron Letters, 2001, vol. 42, # 33, p. 5613 - 5615]

7
[ 2005-10-9 ]
[ 194-63-8 ]
C₃₃H₂₀O₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
61%	Stage #1: dinaphtho[2,1-b;1',2'-d]furan With lithium In diethyl ether at 20℃; for 24h; Stage #2: 6H-benzo[c]chromen-6-one In diethyl ether at -78 - 20℃; Further stages.;

Reference： [1]Wang, Bin; Li, Minxiong; Xu, Shansheng; Song, Haibin; Wang, Baiquan [Synthesis, 2007, # 11, p. 1643 - 1648]

8
[ 69200-16-4 ]
[ 2005-10-9 ]

Yield	Reaction Conditions	Operation in experiment
77%	With 2,6-dimethylpyridine; tetrabutylammonium perchlorate; 2,3-dicyano-5,6-dichloro-p-benzoquinone; at 20℃;Electrolysis;	General procedure: To an oven-dried, undivided electrochemical cell equipped with a magnetic stir bar, a Glass Carbon plate anode (10.0 mm × 20.0 mm),and a graphite plate cathode (10.0 mm × 30.0 mm) were added redoxcatalyst-DDQ (10 mol%), biphenyl-2-carboxylic acid 1 (0.10 mmol).Then electrolyte solution (0.1 M nBu 4 NClO 4 in HFIP, 2.0 mL), and 2,6-lutidine (20 mol%) was added. The mixture was then stirred for 10min. After that, the electrolysis was initiated at a control current of5.0 mA. Each reaction was terminated upon full consumption of start-ing material as determined by TLC analysis. The entire mixture wasthen transferred to a chromatography column (silica gel, petroleumether/EtOAc 9:1-4:1) to afford the desired product.

Reference： [1]Journal of Organic Chemistry,2007,vol. 72,p. 9379 - 9382
[2]Synlett,2010,p. 2009 - 2013
[3]RSC Advances,2015,vol. 5,p. 50174 - 50177
[4]Synthesis,2018,vol. 50,p. 2924 - 2929
[5]Chemistry - A European Journal,2013,vol. 19,p. 15836 - 15840

9
[ 14498-95-4 ]
[ 2005-10-9 ]

Yield	Reaction Conditions	Operation in experiment
84%	With 2,6-dimethylpyridine; tetrabutylammonium perchlorate; 2,3-dicyano-5,6-dichloro-p-benzoquinone; at 20℃;Electrolysis;	General procedure: To an oven-dried, undivided electrochemical cell equipped with a magnetic stir bar, a Glass Carbon plate anode (10.0 mm × 20.0 mm),and a graphite plate cathode (10.0 mm × 30.0 mm) were added redoxcatalyst-DDQ (10 mol%), biphenyl-2-carboxylic acid 1 (0.10 mmol).Then electrolyte solution (0.1 M nBu 4 NClO 4 in HFIP, 2.0 mL), and 2,6-lutidine (20 mol%) was added. The mixture was then stirred for 10min. After that, the electrolysis was initiated at a control current of5.0 mA. Each reaction was terminated upon full consumption of start-ing material as determined by TLC analysis. The entire mixture wasthen transferred to a chromatography column (silica gel, petroleumether/EtOAc 9:1-4:1) to afford the desired product.

Reference： [1]Journal of Organic Chemistry,2007,vol. 72,p. 9379 - 9382
[2]Synthesis,2018,vol. 50,p. 2924 - 2929
[3]Chemistry - A European Journal,2013,vol. 19,p. 15836 - 15840

10
[ 2005-10-9 ]
[ 229-95-8 ]

Yield	Reaction Conditions	Operation in experiment
92%	With sodium tetrahydroborate; In ethanol; at 20℃;	2a (58.8 mg, 0.3 mmol), NaBH4 (17.1 mg, 0.45 mmol) and EtOH (3 mL) was added to a flask (10 mL) and stired for 6 h at room temperature. The reaction mixture was wished with CH2Cl2 (3 x5 mL) and filtered through Celite. After evaporation of the solvent under vacuum, the residue was purified by column chromatography on silica gel (100-200 mesh) using petroleum ether-EtOAc (10/1, V/V) as eluent to give pure 6. 4.4.1. 6H-benzo[c]chromen (6)Prepared from <strong>[2005-10-9]6H-benzo[c]chromen-6-one</strong>; isolated as whitesolid (50.3 mg, 92%), m.p. 130-132 C; 1H NMR (500 MHz, CDCl3):d 7.52-7.50 (m, 1H), 7.42-7.40 (m, 2H), 7.29-7.26 (m, 2H), 7.12 (dd,J1 7.5 Hz, J2 1.5 Hz, 1H), 7.02-6.99 (m, 1H), 6.95 (d, J 8.5 Hz,1H), 4.48e4.42 (m, 2H); 13C NMR (125 MHz, CDCl3): d 152.9, 138.9,136.5,130.9,130.8,129.4,129.3,128.6,128.5,127.8,120.8,116.4, 63.7.

Reference： [1]Tetrahedron,2017,vol. 73,p. 154 - 163
[2]Journal of Organic Chemistry,2015,vol. 80,p. 911 - 919
[3]Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan,1952,vol. 72,p. 656
Chem.Abstr.,1953,p. 2173

11
[ 89466-08-0 ]
[ 6630-33-7 ]
[ 2005-10-9 ]

Yield	Reaction Conditions	Operation in experiment
90%	With palladium diacetate; potassium carbonate; triphenylphosphine; In N,N-dimethyl-formamide; at 90℃; for 4h;Inert atmosphere;	General procedure: The 2-bromoarylcarboxaldehyde (1 mmol), 2-hydroxyphenylboronic acid (1 mmol), K2CO3 (1 mmol.), PPh3 (0.25 mmol) were taken in a two-necked round bottomed flask and flushed with nitrogen gas. Then 3 mL of DMF was added and degassed with N2. The catalyst Pd(OAc)2 (5 mol%) was added to the reaction mixture and heated at 90 ?C for 4 h. After completion of the reaction, the reaction mixture was allowed to cool to room temperature, diluted with water and extracted with ethyl acetate (3 × 20 mL). The combined organic layer was dried over Na2SO4 and evaporated under reduced pressure. The crude product was purified by column chromatography using silica gel (60-120 mesh) and hexane/EtOAc as eluent.

Reference： [1]Tetrahedron Letters,2013,vol. 54,p. 657 - 660

12
[ 89466-08-0 ]
[ 89-98-5 ]
[ 2005-10-9 ]

Yield	Reaction Conditions	Operation in experiment
87%	With palladium diacetate; potassium carbonate; triphenylphosphine; In N,N-dimethyl-formamide; at 90℃; for 8h;Inert atmosphere;	General procedure: The 2-bromoarylcarboxaldehyde (1 mmol), 2-hydroxyphenylboronic acid (1 mmol), K2CO3 (1 mmol.), PPh3 (0.25 mmol) were taken in a two-necked round bottomed flask and flushed with nitrogen gas. Then 3 mL of DMF was added and degassed with N2. The catalyst Pd(OAc)2 (5 mol%) was added to the reaction mixture and heated at 90 ?C for 4 h. After completion of the reaction, the reaction mixture was allowed to cool to room temperature, diluted with water and extracted with ethyl acetate (3 × 20 mL). The combined organic layer was dried over Na2SO4 and evaporated under reduced pressure. The crude product was purified by column chromatography using silica gel (60-120 mesh) and hexane/EtOAc as eluent.

Reference： [1]Tetrahedron Letters,2013,vol. 54,p. 657 - 660

13
[ 26260-02-6 ]
[ 89466-08-0 ]
[ 2005-10-9 ]

Yield	Reaction Conditions	Operation in experiment
91%	With palladium diacetate; potassium carbonate; triphenylphosphine; In N,N-dimethyl-formamide; at 90℃; for 3h;Inert atmosphere;	General procedure: The 2-bromoarylcarboxaldehyde (1 mmol), 2-hydroxyphenylboronic acid (1 mmol), K2CO3 (1 mmol.), PPh3 (0.25 mmol) were taken in a two-necked round bottomed flask and flushed with nitrogen gas. Then 3 mL of DMF was added and degassed with N2. The catalyst Pd(OAc)2 (5 mol%) was added to the reaction mixture and heated at 90 ?C for 4 h. After completion of the reaction, the reaction mixture was allowed to cool to room temperature, diluted with water and extracted with ethyl acetate (3 × 20 mL). The combined organic layer was dried over Na2SO4 and evaporated under reduced pressure. The crude product was purified by column chromatography using silica gel (60-120 mesh) and hexane/EtOAc as eluent.

Reference： [1]Tetrahedron Letters,2013,vol. 54,p. 657 - 660

14
[ 201230-82-2 ]
[ 90-43-7 ]
[ 2005-10-9 ]

Reference： [1]Angewandte Chemie - International Edition,2013,vol. 52,p. 10598 - 10601
Angew. Chem.,2013,vol. 125,p. 10792 - 10795,4
[2]Organic Letters,2013,vol. 15,p. 3962 - 3965
[3]Chemical Communications,2013,vol. 49,p. 11797 - 11799

15
[ 1000071-27-1 ]
[ 2005-10-9 ]

Yield	Reaction Conditions	Operation in experiment
99%	With copper(I) thiophene-2-carboxylate; N,N,N,N,-tetramethylethylenediamine; caesium carbonate; In water; at 300℃; under 12929.0 Torr; for 0.166667h;Microwave irradiation;Catalytic behavior;	General procedure: In a 10mL microwave vessel, to a mixture of methyl 2-halobiarylcarboxylate ester (0.2mmol, 1.0equiv), CuTC (0.1mmol, 0.5equiv), Cs2CO3 (0.1mmol, 0.5equiv) in deionized water (2mL) was added TMEDA (0.2mmol, 1.0equiv) via microsyringe. The mixture was allowed to stir at room temperature for 15min and then placed into the microwave instrument. The reaction was then irradiated based on conditions appropriate for each reaction (see Table 1.) and reactions followed by TLC. After completion, the suspension was filtered through silica gel and washed with EtOAc (4×25mL). The solvent was removed under reduced pressure to give a pale yellow solid, which was then purified by PTLC (EtOAc/Hexane) to give the product. Compounds 1, 19, 20, 23, and 24 were previously reported in the literature

Reference： [1]Tetrahedron,2013,vol. 69,p. 9277 - 9283
[2]Tetrahedron,2017,vol. 73,p. 735 - 741
[3]Chemistry - A European Journal,2013,vol. 19,p. 15836 - 15840

16
[ 361-92-2 ]
[ 2005-10-9 ]

Yield	Reaction Conditions	Operation in experiment
89%	With 2,6-dimethylpyridine; tetrabutylammonium perchlorate; 2,3-dicyano-5,6-dichloro-p-benzoquinone; at 20℃;Electrolysis;	General procedure: To an oven-dried, undivided electrochemical cell equipped with a magnetic stir bar, a Glass Carbon plate anode (10.0 mm × 20.0 mm),and a graphite plate cathode (10.0 mm × 30.0 mm) were added redoxcatalyst-DDQ (10 mol%), biphenyl-2-carboxylic acid 1 (0.10 mmol).Then electrolyte solution (0.1 M nBu 4 NClO 4 in HFIP, 2.0 mL), and 2,6-lutidine (20 mol%) was added. The mixture was then stirred for 10min. After that, the electrolysis was initiated at a control current of5.0 mA. Each reaction was terminated upon full consumption of start-ing material as determined by TLC analysis. The entire mixture wasthen transferred to a chromatography column (silica gel, petroleumether/EtOAc 9:1-4:1) to afford the desired product.

Reference： [1]Chemistry - A European Journal,2013,vol. 19,p. 15836 - 15840
[2]Synthesis,2018,vol. 50,p. 2924 - 2929

17
[ 64-17-5 ]
[ 85-01-8 ]
[ 86-73-7 ]
[ 2005-10-9 ]
[ 486-25-9 ]
[ 1430-97-3 ]
[ 2306-33-4 ]
[ 5807-65-8 ]
[ 4425-82-5 ]
[ 605-87-8 ]
[ 863305-32-2 ]
[ 19926-49-9 ]
[ 604-84-2 ]
[ 27428-70-2 ]
[ 84-11-7 ]

Reference： [1]RSC Advances,2014,vol. 4,p. 40859 - 40864

18
[ 1203-68-5 ]
[ 2005-10-9 ]

Yield	Reaction Conditions	Operation in experiment
86%	With water; copper; potassium carbonate; Selectfluor; In acetonitrile; at 25℃; for 24h;Mechanism;	1 (or 3, 0.3 mmol), Cu(0) powder (1.92 mg, 10 mol %), Selectfluor(212.6 mg, 0.6 mmol), K2CO3 (82.8 mg, 0.6 mmol) and CH3CN (3 mL)were added to a 10-mL flask. Then the reaction mixture was stirred at 25 C (50 C for 3) for 24 h. Upon completion, the resulting mixture was diluted with CH2Cl2 (10 mL) and filtered through Celite. After evaporation of the solvent under vacuum, the residue was purified by column chromatography on silica gel (100-200mesh) using petroleum ether-EtOAc (20/1, V/V) as eluent to give pure 2 (or 4). 4.3.1. 6H-benzo[c]chromen-6-one (2a) Prepared from biphenyl-2-carbaldehyde; isolated as white solid (50.6 mg, 86%), m.p. 85-86 C (lit.22 m.p. 88-89 C); IR (KBr, cm1):n 1733, 1602; 1H NMR (500 MHz, CDCl3): d 8.43 (dd, J1 7.5 Hz,J2 1.0 Hz, 1H), 8.15 (d, J 8.5 Hz, 1H), 8.09 (dd, J1 8.0 Hz,J2 1.5 Hz, 1H), 7.87e7.84 (m, 1H), 7.63e7.59 (m, 1H), 7.52e7.49 (m,1H), 7.41e7.35 (m, 2H); 13C NMR (125 MHz, CDCl3): d 161.2, 151.4,134.8 (2C), 130.6, 130.5, 128.9, 124.6, 122.8, 121.7, 121.4, 118.1, 117.8; GC-MS (EI, 70 eV): m/z (%) 196 (100) [M].
86%	With copper; potassium carbonate; Selectfluor; In acetonitrile; at 25℃; for 24h;	0.3 mmol 2-phenylbenzaldehyde (54.6 mg), 0.03 mmol Cu powder (1.92 mg),0.6mmol of Selectfluor (212.4mg) and 0.45mmol of K2CO3 (62.1mg) were added to a 15mL thick-walled pressure reaction tube and added.3mL acetonitrile as solvent. Then, it was magnetically stirred at 25C for 24 hours. After cooling to room temperature, add 10 mL of water and dichloromethaneExtract with alkane (3*10 mL). Combine the organic phases and dry them over anhydrous Na2SO4. Purify the filtrate by filtration with suction and pass through silica gel column chromatography.Separation, using petroleum ether/ethyl acetate=30:1 as eluent, collecting the eluent containing the target product and distilling off the solvent to obtain benzeneAnd isocoumarin. The material was a white solid with a yield of 86%.

Reference： [1]Tetrahedron,2017,vol. 73,p. 154 - 163
[2]Patent: CN107641110,2018,A .Location in patent: Paragraph 0032; 0033; 0034; 0038; 0042; 0046; 0050
[3]RSC Advances,2015,vol. 5,p. 8801 - 8805
[4]Organic and Biomolecular Chemistry,2019,vol. 17,p. 4212 - 4215

19
[ 2928-43-0 ]
[ 2005-10-9 ]

Reference： [1]Organic and Biomolecular Chemistry,2019,vol. 17,p. 4212 - 4215
[2]RSC Advances,2015,vol. 5,p. 8801 - 8805

20
[ 2928-43-0 ]
[ 2005-10-9 ]
[ 1203-68-5 ]

Reference： [1]RSC Advances,2015,vol. 5,p. 8801 - 8805

21
[ 533-58-4 ]
[ 26638-43-7 ]
[ 2005-10-9 ]
[ 136859-40-0 ]

Reference： [1]Tetrahedron,2015,vol. 71,p. 6701 - 6719

22
[ 84-11-7 ]
[ 2005-10-9 ]
[ 6050-13-1 ]

Yield	Reaction Conditions	Operation in experiment
13%; 50%	With sodium cyanide; oxygen; In acetonitrile; at 20℃; for 48h;	The electron transfer reaction from the cyanide anion to1,2-dicarbonyl compounds and their monoimine derivatives1a-f was performed under stirring conditions in dryacetonitrile (40 mL) solutions where the substrate(0,25 mmol) was maintained for 24 h (48 h for 1a and1e) at room temperature and usual laboratory illumina-tion conditions, in the presence of sodium cyanide(10 mmol) over an open-air vessel. The reaction wasfollowed by TLC until complete disappearance of thestarting compound.

Reference： [1]Comptes Rendus Chimie,2015,vol. 18,p. 1284 - 1288

23
[ 93465-26-0 ]
[ 2005-10-9 ]

Reference： [1]Tetrahedron,2016,vol. 72,p. 8417 - 8427

24
[ 223575-76-6 ]
[ 2005-10-9 ]

Yield	Reaction Conditions	Operation in experiment
67%	With water; copper; potassium carbonate; Selectfluor; In acetonitrile; at 25℃; for 24h;	General procedure: 1 (or 3, 0.3 mmol), Cu(0) powder (1.92 mg, 10 mol %), Selectfluor(212.6 mg, 0.6 mmol), K2CO3 (82.8 mg, 0.6 mmol) and CH3CN (3 mL)were added to a 10-mL flask. Then the reaction mixture was stirred at 25 C (50 C for 3) for 24 h. Upon completion, the resulting mixture was diluted with CH2Cl2 (10 mL) and filtered through Celite. After evaporation of the solvent under vacuum, the residue was purified by column chromatography on silica gel (100-200mesh) using petroleum ether-EtOAc (20/1, V/V) as eluent to give pure 2 (or 4).

Reference： [1]Tetrahedron,2017,vol. 73,p. 154 - 163

25
[ 5807-64-7 ]
[ 2005-10-9 ]

Reference： [1]ACS Catalysis,2018,vol. 8,p. 10173 - 10179

26
[ 2005-10-9 ]
[ 92-66-0 ]
6-([1,1'-biphenyl]-4-yl)benzo[c]chromen-5-ium perchlorate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
63%		Magnesium (0.190 g, 7.50 mmol) was placed into an oven-dried round bottom flask and flushed with Ar for 30 min while stirring. 4-Bromobiphenyl 5 (1.75 g, 7.50 mmol), anhydrous THF (10 mL), and a crystal of I2 were then added and the reaction stirred for 1.5 h under Ar. During this time <strong>[2005-10-9]6H-benzo[c]chromen-6-one</strong> 9 (0.981 g, 5.00 mmol) was dissolved in 10 mL of anhydrous THF in a separate oven dried round bottom flask. The flask was cooled to 0 C with an ice bath and sparged for 30 min with Ar. The arylmagnesium bromide solution was transferred to the solution containing 9 at 0 Cvia cannula under Ar pressure. The cooling bath was removed, and the reaction was stirred for 18 h. 50 mL of sat. NH4Cl was added to the reaction and subsequently extracted 3x with 25 mL of Et2O. The combined organics were dried with Na2SO4, filtered, and concentrated under reduced pressure. The crude product was dissolved in25 mL of diethyl ether and cooled to 0 C in an ice bath and stirred very rapidly. A chilled (0 C) solution of 70% perchloric acid in acetic anhydride (1:3 by volume) was slowly added drop-wise to the stirring ethereal solution until a colored precipitate formed. The crude product was filtered and recrystallized in glacial acetic acid to yield orange-yellow needles (1.36 g, 63%). mp 234e236 C. 1H NMR(400 MHz, CDCl3/CF3CO2D): d 8.93 (d, J 8.3 Hz, 1H), 8.87 (d,J 8.3 Hz, 1H), 8.79 (d, J 8.3 Hz, 1H), 8.61 (t, J 8.3 Hz, 1H), 8.36(d, J 8.5 Hz, 2H), 8.29 (d, J 8.5 Hz, 1H), 8.20-8.04 (m, 5H), 7.80-7.77 (m, 2H), 7.61-7.52 (m, 3H). 13C NMR (100 MHz, CDCl3/CF3CO2D): d 183.8, 151.5, 150.0, 143.9, 139.6, 138.1, 136.2, 134.6,134.2, 132.0, 130.8, 129.8, 129.4, 128.6, 127.9, 127.6, 123.1, 123.9,121.5, 120.6, 119.9. IR (ATR) nmax: 1597, 1542, 1069 cm1. HRMS (ESI)m/z calcd for C25H17O [M] 333.1279, found 333.1276.

Reference： [1]Tetrahedron,2020,vol. 76

27
[ 2005-10-9 ]
[ 202831-65-0 ]
C₃₇H₂₇NO₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
40%		4'-Bromo-N,N-diphenyl-[1,1'-biphenyl]-4-amine 8 (1.60 g,4.00 mmol) was dissolved in 25 mL of anhydrous THF in an oven dried round bottom flask. The solution was cooled to 78 C in a dry ice/acetone bath and sparged with Ar for 20 min. 2.5 M n-BuLi in hexane (1.60 mL, 4.00 mmol) was added dropwise via syringe and the reaction was stirred for 15 min at 78 C. The cooling bath was removed, and the reaction stirred for 10 min. The reaction was cooled back to 78 C and stirred another 15 min. During this time 6H-benzo[c]chromen-6-one 9 (713 mg, 3.63 mmol) was dissolved in 10 mL of anhydrous THF in a separate oven dried round bottom flask. The solution was cooled to 78 C in a dry ice/acetone bath and sparged with Ar for 10 min. The aryllithium solution was transferred to the solution containing 9 at 78 C via cannula under Ar pressure. The cooling bath was removed, and the reaction stirred for 10 min. The reaction was cooled back to 78 C and stirred another 15 min. The reaction was quenched by the addition of 20 mL of sat. NH4Cl over 10 min at 78 C. The cooling bath was removed, and the reaction was allowed to warm to rt with stirring. 20 mL of water was added, and the mixture was subsequently extracted 3x with 50 mL of EtOAc. The combined organics were washed with brine, dried with Na2SO4, filtered, and concentrated under reduced pressure to yield a crude oily solid. The crude product was purified with column chromatography under gradient elution (10:90 CH2Cl2:hexane/80:20 CH2Cl2:hexane) to yield 17a as a light-yellow powder (750 mg, 40%) but not characterized further. 300 mg (0.580 mmol) of 17a was dissolved in 20 mL of CH2Cl2 in a graduated cylinder and 0.1 mL of a neat 1:1 HBF4 diethyl ether complex and 0.5 mL of Ac2O was carefully added resulting in a blue solution. Diethyl ether (30 mL) was layered on top of the solution and was allowed to sit for 48 h as a ppt formed. The ppt was filtered to achieve a greenish/black solid (273 mg, 80%). The product was acid sensitive and was therefore analyzed via NMR spectroscopy dissolved in CD2Cl2 as a solvent with no added CF3CO2D, which reduced its solubility. mp 226e229 C. 1H NMR (400 MHz,CD2Cl2): d 8.92 (d, J 8.6 Hz, 1H), 8.84 (d, J 8.3 Hz, 1H), 8.78 (d,J 8.1 Hz, 1H), 8.60 (t, J 7.7 Hz, 1H), 8.36 (d, J 8.6 Hz, 2H), 8.27 (d,J 8.3 Hz, 1H), 8.17 (t, J 7.8 Hz, 1H), 8.15-8.02 (m, 4H), 7.73 (br,2H), 7.36 (br, 5H) 7.20 (br, 7H). 13C NMR (100 MHz, CD2Cl2): d 183.4,151.9, 144.1, 139.8, 136.5, 135.2,135.1, 132.6, 131.2, 130.2, 129.1, 128.2,127.5, 126.3, 124.7, 124.6, 124.1, 122.1, 121.0, 120.3. IR (ATR) nmax:1583, 1485, 1050 cm1. HRMS (ESI) m/z calcd for C37H26NO [M]500.2014, found 500.2023.

Reference： [1]Tetrahedron,2020,vol. 76

28
[ 2005-10-9 ]
[ 202831-65-0 ]
6-(4'-(diphenylamino)-[1,1'-biphenyl]-4-yl)benzo[c]chromen-5-ium tetrafluoroborate [ No CAS ]

Reference： [1]Tetrahedron,2020,vol. 76

29
[ 2005-10-9 ]
[ 58743-83-2 ]
6-(4'-methoxy-[1,1'-biphenyl]-4-yl)benzo[c]chromen-5-ium perchlorate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
43%	Stage #1: 4-bromo-4'-methoxylbiphenyl With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 1.5h; Inert atmosphere; Stage #2: 6H-benzo[c]chromen-6-one In tetrahydrofuran; hexane at -78 - 20℃; for 2h; Inert atmosphere; Stage #3: With perchloric acid; acetic anhydride In diethyl ether; water at 0℃;	4.4. 6-(40-Methoxy-[1,10-biphenyl]-4-yl)benzo[c]chromen-5-iumperchlorate (15) 4-bromo-4'-methoxybiphenyl 6 (0.671 g, 2.55 mmol) was dissolved in 10 mL of anhydrous THF in an oven dried round bottom flask. The solution was cooled to 78 C in a dry ice/acetone bath and sparged with Ar for 45 min. 1.6 M n-BuLi in hexane (1.70 mL,2.72 mmol) was added dropwise via syringe and the reaction was stirred for 1.5 h at 78 C. During this time 6H-benzo[c]chromen-6-one 9 (0.500 g, 2.55 mmol) was dissolved in 10 mL of anhydrous THF in a separate oven dried round bottom flask. The solution was cooled to 78 C in a dry ice/acetone bath and sparged with Ar for 30 min. The aryllithium solution was transferred to the solution containing 9 at 78 C via cannula under Ar pressure. The cooling bath was removed, and the reaction was allowed to stir for 2 h. 50 mL of sat. NH4Cl was added to the reaction and subsequently extracted 3x with 25 mL of Et2O. The combined organics were dried with MgSO4, filtered, and concentrated under reduced pressure. The crude product was dissolved in 25 mL of diethyl ether and cooled to 0 C in an ice bath and stirred very rapidly. A chilled (0 C) solution of 70% perchloric acid in acetic anhydride (1:3 by volume) was slowly added drop-wise to the stirring ethereal solution until a colored precipitate formed. The crude product was filtered and recrystallized in glacial acetic acid to yield a red-orange powder (0.508 g, 43%). mp 270e271 C. 1H NMR (400 MHz, CDCl3/CF3CO2D): d 8.90 (d, J 8.5 Hz, 1H), 8.86 (d, J 8.5 Hz, 1H), 8.76 (dd,J 8.3 Hz, J 1.5 Hz, 1H), 8.59 (t, J 7.9 Hz, 1H), 8.36 (d, J 8.5 Hz,2H), 8.27 (dd, J 8.4 Hz, J 1.1 Hz, 1H), 8.17 (t, J 8.3 Hz, 1H), 8.12(td, J 7.9 Hz, J 1.5 Hz, 1H), 8.07-8.01 (m, 3H), 7.77 (d, J 9.0 Hz,2H), 7.12 (d, J 8.8 Hz, 2H), 3.95 (s, 3H). 13C NMR (100 MHz, CDCl3/CF3CO2D): d 183.7, 160.6, 151.6, 150.2, 143.9, 139.7, 136.2, 134.9,134.3,132.1, 131.2, 131.0,129.2,128.2, 127.3, 124.1,124.0, 121.5, 120.5,119.8, 115.3, 55.9. IR (ATR) nmax: 1592, 1483, 1078 cm1. HRMS (ESI)m/z calcd for C26H19O2 [M] 363.1385, found 363.1373.

Reference： [1]Meyer, Samantha M.; Charlesworth-Seiler, Eva M.; Patrow, Joel G.; Kitzrow, Jonathan P.; Gerlach, Deidra L.; Reinheimer, Eric W.; Dahl, Bart J. [Tetrahedron, 2020, vol. 76, # 23]

30
[ 947-84-2 ]
[ 2005-10-9 ]
[ 321-60-8 ]

Yield	Reaction Conditions	Operation in experiment
1: 9 %Spectr. 2: 88%	Stage #1: 2-Biphenylcarboxylic acid With tetrakis(acetonitrile)copper(I)tetrafluoroborate; tetrabutylammonium tetra(tert-butyl alcohol) coordinate fluoride; copper(II) bis(trifluoromethanesulfonate) In acetonitrile at 23℃; for 0.5h; Sealed tube; Inert atmosphere; Stage #2: In acetonitrile at 35℃; for 6h; Irradiation; Sealed tube; Inert atmosphere;

Reference： [1]Xu, Peng; López-Rojas, Priscila; Ritter, Tobias [Journal of the American Chemical Society, 2021, vol. 143, # 14, p. 5349 - 5354]

31
[ 1292766-17-6 ]
[ 947-84-2 ]
[ 2005-10-9 ]

Yield	Reaction Conditions	Operation in experiment
81%	Stage #1: 2-Biphenylcarboxylic acid With lithium hydroxide In water; acetonitrile at 25℃; for 1h; Stage #2: copper(I) thiophene-2-carboxylate With copper(II) bis(trifluoromethanesulfonate) In acetonitrile at 35℃; for 15h; Irradiation; Inert atmosphere; Glovebox;

Reference： [1]Ritter, Tobias; Su, Wanqi; Xu, Peng [Angewandte Chemie - International Edition, 2021, vol. 60, # 45, p. 24012 - 24017][Angew. Chem., 2021, vol. 133, # 45, p. 24214 - 24219]

32
[ 2005-10-9 ]
[ 132-64-9 ]

Yield	Reaction Conditions	Operation in experiment
96%	With bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; C₂₈H₄₀O₈P₂; cesium fluoride In toluene at 150℃; for 24h;

Reference： [1]Li, Junqi; Luu, Quang H. [Chemical Science, 2022, vol. 13, # 4, p. 1095 - 1100]

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P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
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Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 2005-10-9 ] {[proInfo.proName]}

Quality Control of [ 2005-10-9 ]

Related Doc. of [ 2005-10-9 ]

Product Details of [ 2005-10-9 ]

Calculated chemistry of [ 2005-10-9 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 2005-10-9 ]

Application In Synthesis of [ 2005-10-9 ]

[ 2005-10-9 ] Synthesis Path-Downstream 1~32

Related Functional Groups of [ 2005-10-9 ]

Esters

Related Parent Nucleus of [ 2005-10-9 ]

Other Aromatic Heterocycles

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 2005-10-9 ]

Related Parent Nucleus of
[ 2005-10-9 ]