[ CAS No. 831-81-2 ] {[proInfo.proName]}

Name: 831-81-2|4-Chlorodiphenylmethane|98%
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3d Animation Molecule Structure of 831-81-2

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Quality Control of [ 831-81-2 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 831-81-2 ]

SDS Specification

Alternatived Products of [ 831-81-2 ]

Product Details of [ 831-81-2 ]

CAS No. :	831-81-2	MDL No. :	MFCD00094070
Formula :	C₁₃H₁₁Cl	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	NPOGRKGIBGKRNI-UHFFFAOYSA-N
M.W :	202.68	Pubchem ID :	13253
Synonyms :

Calculated chemistry of [ 831-81-2 ]

Physicochemical Properties

Num. heavy atoms :	14
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.08
Num. rotatable bonds :	2
Num. H-bond acceptors :	0.0
Num. H-bond donors :	0.0
Molar Refractivity :	60.91
TPSA :	0.0 Å²

Pharmacokinetics

GI absorption :	Low
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	Yes
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-4.38 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.72
Log Po/w (XLOGP3) :	4.45
Log Po/w (WLOGP) :	3.93
Log Po/w (MLOGP) :	4.68
Log Po/w (SILICOS-IT) :	4.54
Consensus Log Po/w :	4.06

Druglikeness

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

Water Solubility

Log S (ESOL) :	-4.4
Solubility :	0.00802 mg/ml ; 0.0000396 mol/l
Class :	Moderately soluble
Log S (Ali) :	-4.17
Solubility :	0.0137 mg/ml ; 0.0000678 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-5.94
Solubility :	0.000233 mg/ml ; 0.00000115 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	1.49

Safety of [ 831-81-2 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313	UN#:	N/A
Hazard Statements:	H315-H319	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 831-81-2 ]

* 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 [ 831-81-2 ]

[ 831-81-2 ] Synthesis Path-Downstream 1~88

1
[ 112-34-5 ]
[ 55816-27-8 ]
[ 38321-18-5 ]
[ 831-81-2 ]

Reference： [1]Journal of the American Chemical Society,1952,vol. 74,p. 2724,2725

2
[ 101-81-5 ]
[ 831-81-2 ]
[ 29921-41-3 ]

Reference： [1]Annali di Chimica,1956,vol. 46,p. 122,124
[2]Annali di Chimica,1956,vol. 46,p. 122,124

3
[ 104-83-6 ]
[ 71-43-2 ]
[ 831-81-2 ]

Reference： [1]Chemistry Letters,2000,p. 1010 - 1011
[2]Journal of the American Chemical Society,1984,vol. 106,p. 7038 - 7046
[3]Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya,1958,p. 1123,1125; engl. Ausg. S. 1089, 1091

4
[ 134-85-0 ]
[ 831-81-2 ]

Reference： [1]Organic Letters,2014,vol. 16,p. 2000 - 2002
[2]Synthesis,1987,p. 736 - 738
[3]Catalysis Letters,2011,vol. 141,p. 507 - 511
[4]Journal of the American Chemical Society,1983,vol. 105,p. 6426 - 6429
[5]Chemistry Letters,1983,p. 909 - 910
[6]Recueil des Travaux Chimiques des Pays-Bas,1907,vol. 26,p. 264
[7]Journal of the Chemical Society,1961,p. 1405 - 1407
[8]Journal of Organic Chemistry,1960,vol. 25,p. 1790 - 1797
[9]Journal of Organic Chemistry,1970,vol. 35,p. 944 - 948
[10]Journal of the Chemical Society C: Organic,1970,vol. <C>,p. 2586 - 2591
[11]Journal of Medicinal Chemistry,2005,vol. 48,p. 6461 - 6471
[12]Advanced Synthesis and Catalysis,2018,vol. 360,p. 2522 - 2536
[13]Advanced Synthesis and Catalysis,2018,vol. 360,p. 2522 - 2536
[14]Organic Process Research and Development,2019,vol. 23,p. 2445 - 2455
[15]Chemical Communications,2019,vol. 55,p. 12968 - 12971

5
[ 33598-76-4 ]
[ 71-43-2 ]
[ 831-81-2 ]

Reference： [1]Journal fur praktische Chemie (Leipzig 1954),1910,vol. <2> 82,p. 539

6
[ 352-12-5 ]
[ 71-43-2 ]
[ 831-81-2 ]

Reference： [1]Journal of the American Chemical Society,1948,vol. 70,p. 2310,2313
[2]Journal of the American Chemical Society,1948,vol. 70,p. 2310,2313

7
C₁₃H₁₀Cl⁽¹⁺⁾*Cl₆Sb^(1-) [ No CAS ]
[ 831-81-2 ]

Reference： [1]Justus Liebigs Annalen der Chemie,1975,p. 835 - 848

8
[ 75-77-4 ]
[ 831-81-2 ]
[ 17964-29-3 ]

Reference： [1]Journal of the American Chemical Society,1983,vol. 105,p. 6426 - 6429

9
[ 507-20-0 ]
[ 831-81-2 ]
[ 115848-35-6 ]
[ 115848-37-8 ]

Reference： [1]Journal of Organic Chemistry USSR (English Translation),1987,vol. 23,p. 2292 - 2297
Zhurnal Organicheskoi Khimii,1987,vol. 23,p. 2597 - 2602

10
[ 831-81-2 ]
[ 134-85-0 ]

Yield	Reaction Conditions	Operation in experiment
98%	With N-Bromosuccinimide; water; In chloroform; for 3h;Reflux;	General procedure: In around-bottom flask, diarylmethanes (1.0 mmol), NBS (889.9 mg, 5.0 mmol) andwater (0 or 5.0 mmol) were dissolved in CHCl3 (4.0 mL). After refluxingfor 3 h in the air, the reaction mixture was quenched withNa2S2O3·5H2O, cooled to roomtemperature, washed with 5mL CH2Cl2, dried with MgSO4,and filtered to get clear organic solution. The solvent was removed reducedpressure by a rotary evaporator, and the resulting residue was subjected tocolumn chromatography on silica gel using co-solvent(ethyl acetate / petroleum ether, v/v) as eluent to give the correspondingdiaryllketones.
95%	With oxygen; sodium t-butanolate; In dimethyl sulfoxide; at 50℃; for 5h;Sealed tube;	General procedure: To a predried 5 mL round-bottom flask diarylmethane 1 (0.4 mmol), dry DMSO (1 mL), andt-BuONa (0.8 mmol) were subsequently added as soon as possible. The reaction system wassealed by a rubber septum with a needle connected to an O2 balloon, and then stirred at 50 oC for5 h. During this period, the reaction system suffered complex color changes. Then the reactionmixture was allowed to cool at room temperature, and diluted with 1 mol/L HCl to pH = 6-7,washed with ethyl acetate (20 mL × 3), dried over anhydrous Na2SO4, and filtered to get clearorganic solution. The solvent was removed reduced pressure by a rotary evaporator, and theresulting residue was subjected to column chromatography on silica gel using co-solvent (ethylacetate / petroleum ether = 1/20, v/v) as eluent to give the corresponding diarylketones.
82%	With pyridine; dipotassium peroxodisulfate; oxygen; In acetonitrile; at 80℃; under 760.051 Torr; for 16h;Green chemistry;	General procedure: Ethylbenzene (3a) (0.0531 g, 0.5 mmol), K2S2O8 (0.2703 g, 1.0 mmol), pyridine (0.0158 g, 0.2 mmol) and CH3CN (1.0 mL) were added to an oven-dried pressure vessel with a magnetic stir bar. Then the pressure vessel was filled with dioxygen and the reaction mixture was stirred at 80 C for 16 hours (oil bath). After the completion of the reaction, the solvent was evaporated and the reaction mixture was purified with column chromatography (eluenet: ethyl acetate/PE = 1/10) to give acetophenone (4a) (0.0535 g yield 89%).

65%	With tert.-butylnitrite; oxygen; acetic acid; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In 1,1,2,2-tetrachloroethane; at 130℃; for 24h;Autoclave;	General procedure: A Teflon-lines 316 L stainless steel autoclave (300 mL) equipped with magnetic stirring bar was charged with substituted diarylmethanes 1 (2 mmol), 136.2 mg DDQ (0.6 mmol, 30 mol %), 41.2 mg TBN (0.4 mmol, 20 mol %), 480 mg acetic acid (8 mmol) and 20 mL TeCA. The autoclave was closed and charged with oxygen to 0.3 MPa. Then the autoclave was placed in an oil bath, which was preheated to 130 C. The mixture was then stirred for a certain time until the reaction was completed. The autoclave was taken out from the oil bath, cooled to room temperature and carefully depressurized. The mixture was concentrated under reduced pressure and purified by column chromatography to give the desired diarylketones.
85%Chromat.	With dihydrogen peroxide; trifluoroacetic acid; zinc dibromide; In 1,4-dioxane; water; at 100℃; for 16h;	General procedure: In a 25 mL pressure tube, ZnBr2 (10 mol %) and a stirring bar were added. After the addition of diphenylmethane (1 mmol), trifluoroacetic acid (0.2 mL) and 1,4-dioxane (2 mL) by syringe, H2O2 (4 mmol; 30% aqueous) was added in one pot to the solution and the final solution was kept at 100 C for 16 h. Then hexadecane (100 mg) and ethyl acetate (3 mL) were injected, a part of solution was taken for GC and GC-MS analysis after properly mixed. All the products are commercially available.

Reference： [1]Green Chemistry,2009,vol. 11,p. 1973 - 1978
[2]Tetrahedron Letters,2014,vol. 55,p. 4458 - 4462
[3]Tetrahedron,2009,vol. 65,p. 1856 - 1858
[4]Synlett,2011,p. 1435 - 1438
[5]Synlett,2017,vol. 28,p. 994 - 998
[6]Tetrahedron Letters,1994,vol. 35,p. 5833 - 5836
[7]Organic Letters,2016,vol. 18,p. 5680 - 5683
[8]Chemistry - A European Journal,2013,vol. 19,p. 5542 - 5545
[9]Synthesis,2017,vol. 49,p. 4007 - 4016
[10]RSC Advances,2017,vol. 7,p. 15176 - 15180
[11]Chemical Communications,2015,vol. 51,p. 14046 - 14049
[12]Tetrahedron,2015,vol. 71,p. 6733 - 6739
[13]Organic Letters,2017,vol. 19,p. 3009 - 3012
[14]Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical,1990,vol. 29,p. 1187 - 1191
[15]Bulletin of the Chemical Society of Japan,1994,vol. 67,p. 2336 - 2338
[16]Tetrahedron Letters,2012,vol. 53,p. 6123 - 6126
[17]ChemCatChem,2016,vol. 8,p. 2881 - 2884

11
[ 2484-99-3 ]
[ 831-81-2 ]

Reference： [1]Bulletin of the Chemical Society of Japan,1985,vol. 58,p. 2421 - 2422

12
[ 6008-75-9 ]
[ 831-81-2 ]
[ 134-85-0 ]

Reference： [1]Tetrahedron Letters,1989,vol. 30,p. 1277 - 1278
[2]Tetrahedron Letters,1989,vol. 30,p. 1277 - 1278

13
[ 100-39-0 ]
[ 108-90-7 ]
[ 831-81-2 ]
[ 29921-41-3 ]

Reference： [1]Helvetica Chimica Acta,1987,vol. 70,p. 577 - 586

14
[ 104-88-1 ]
[ 2444-89-5 ]
[ 831-81-2 ]

Reference： [1]Canadian Journal of Chemistry,1986,vol. 64,p. 2342 - 2347

15
[ 62673-31-8 ]
[ 112529-05-2 ]
[ 831-81-2 ]

Reference： [1]Tetrahedron Letters,1987,vol. 28,p. 2387 - 2388

16
[ 85152-72-3 ]
[ 831-81-2 ]
[ 20386-93-0 ]
[ 104-88-1 ]
[ 85152-75-6 ]
[ 65-85-0 ]
[ 74-11-3 ]

Reference： [1]Journal of Organic Chemistry,1983,vol. 48,p. 1444 - 1448

17
[ 591-50-4 ]
[ 201230-82-2 ]
[ 104-83-6 ]
[ 831-81-2 ]
[ 5216-35-3 ]
[ 6332-83-8 ]

Reference： [1]Tetrahedron Letters,1983,vol. 24,p. 3869 - 3872

18
[ 76017-71-5 ]
[ 831-81-2 ]
[ 29921-41-3 ]
[ 27798-38-5 ]
[ 82135-27-1 ]

Reference： [1]Journal of the Chemical Society. Perkin transactions II,1986,p. 1331 - 1336

19
1-<α,α-bis(ethylthio)benzyl>-4-chlorobenzene [ No CAS ]
[ 831-81-2 ]
[ 134-85-0 ]

Reference： [1]Bulletin of the Chemical Society of Japan,1992,vol. 65,p. 2842 - 2844

20
[ 831-81-2 ]
[ 75-36-5 ]
[ 1026082-44-9 ]

Reference： [1]European Journal of Medicinal Chemistry,1994,vol. 29,p. 349 - 356

21
[ 6966-45-6 ]
[ 108-88-3 ]
[ 71-43-2 ]
[ 831-81-2 ]
[ 30203-87-3 ]
[ 91410-28-5 ]
[ 55676-88-5 ]

Reference： [1]Journal of Organic Chemistry,1984,vol. 49,p. 3967 - 3970

22
[ 831-81-2 ]
1-Chloro-4-(dibromo-phenyl-methyl)-benzene [ No CAS ]

Reference： [1]Bulletin of the Chemical Society of Japan,1994,vol. 67,p. 2336 - 2338

23
[ 831-81-2 ]
[ 30203-95-3 ]

Reference： [1]Journal of the Chemical Society C: Organic,1970,vol. <C>,p. 2586 - 2591

24
[ 831-81-2 ]
1,2-Diphenyl-1,2-bis-(4-chlor-phenyl)-ethan [ No CAS ]

Reference： [1]Journal of Organic Chemistry,1963,vol. 28,p. 638 - 642

25
[ 100-44-7 ]
[ 108-90-7 ]
[ 831-81-2 ]
[ 29921-41-3 ]

Reference： [1]Tetrahedron Letters,1995,vol. 36,p. 3133 - 3136
[2]Synthetic Communications,1997,vol. 27,p. 2267 - 2273
[3]Synthetic Communications,2003,vol. 33,p. 105 - 111
[4]Journal of the Chinese Chemical Society,2004,vol. 51,p. 135 - 138
[5]Journal of the Chinese Chemical Society,2004,vol. 51,p. 135 - 138
[6]Synthesis,2010,p. 2835 - 2840
[7]Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry,2010,vol. 49,p. 340 - 345
[8]Catalysis Today,2012,vol. 189,p. 111 - 116

26
[ 104-88-1 ]
[ 71-43-2 ]
[ 831-81-2 ]

Reference： [1]European Journal of Organic Chemistry,2014,vol. 2014,p. 4137 - 4147
[2]Chemical Communications,1996,p. 2345 - 2346
[3]Journal of Organic Chemistry,1997,vol. 62,p. 151 - 156
[4]Tetrahedron Letters,1998,vol. 39,p. 6291 - 6294

27
[ 108-88-3 ]
[ 183156-72-1 ]
[ 71-43-2 ]
[ 831-81-2 ]
[ 5406-33-7 ]
[ 30203-87-3 ]
[ 91410-28-5 ]
[ 55676-88-5 ]

Reference： [1]Journal of Organic Chemistry,1996,vol. 61,p. 7986 - 7987

28
[ 831-81-2 ]
[ 623-25-6 ]
C₃₄H₂₈Cl₂ [ No CAS ]
C₃₄H₂₈Cl₂ [ No CAS ]
C₃₄H₂₈Cl₂ [ No CAS ]

Reference： [1]Journal of Chemical Research - Part S,1996,p. 240 - 241

29
[ 6413-52-1 ]
[ 71-43-2 ]
[ 831-81-2 ]

Reference： [1]Journal of Organic Chemistry,1997,vol. 62,p. 151 - 156
[2]Journal of Organic Chemistry,1997,vol. 62,p. 151 - 156

30
[ 134-83-8 ]
[ 831-81-2 ]
[ 119-56-2 ]

Reference： [1]Journal of the Chinese Chemical Society,1997,vol. 44,p. 249 - 252

32
[ 108-88-3 ]
[ 183156-72-1 ]
[ 71-43-2 ]
[ 831-81-2 ]
[ 55676-88-5 ]

Reference： [1]Tetrahedron Letters,1997,vol. 38,p. 7649 - 7652

33
[ 108-88-3 ]
[ 183156-72-1 ]
[ 71-43-2 ]
[ 831-81-2 ]
[ 5406-33-7 ]
[ 91410-28-5 ]
[ 55676-88-5 ]

Reference： [1]Journal of Organic Chemistry,2000,vol. 65,p. 1121 - 1131
[2]Journal of Organic Chemistry,2000,vol. 65,p. 1121 - 1131

34
[ 5329-51-1 ]
[ 10034-85-2 ]
[ 134-85-0 ]
[ 831-81-2 ]

Reference： [1]Recueil des Travaux Chimiques des Pays-Bas,1907,vol. 26,p. 264

37
4-chloro-diphenylcarbinol [ No CAS ]
[ 831-81-2 ]

Reference： [1]Zhurnal Russkago Fiziko-Khimicheskago Obshchestva,1925,vol. 56,p. 150
Chemisches Zentralblatt,1926,vol. 97,p. 919

38
[ 119-56-2 ]
[ 10034-85-2 ]
[ 64-19-7 ]
[ 831-81-2 ]

Reference： [1]Zhurnal Russkago Fiziko-Khimicheskago Obshchestva,1925,vol. 56,p. 150
Chemisches Zentralblatt,1926,vol. 97,p. 919

39
[ 352-12-5 ]
[ 7637-07-2 ]
[ 71-43-2 ]
[ 831-81-2 ]

Reference： [1]Journal of the American Chemical Society,1948,vol. 70,p. 2310,2313

40
[ 33598-76-4 ]
[ 71-43-2 ]
P₂O₅ [ No CAS ]
[ 831-81-2 ]

Reference： [1]Journal fur praktische Chemie (Leipzig 1954),1910,vol. <2> 82,p. 539

41
[ 101-81-5 ]
[ 7782-50-5 ]
[ 7705-08-0 ]
[ 831-81-2 ]
[ 29921-41-3 ]

Reference： [1]Annali di Chimica,1956,vol. 46,p. 122,124

42
[ 56-23-5 ]
[ 101-81-5 ]
[ 7782-50-5 ]
[ 7705-08-0 ]
[ 831-81-2 ]
[ 29921-41-3 ]

Reference： [1]Annali di Chimica,1956,vol. 46,p. 122,124

43
[ 29540-84-9 ]
potassium benzyltrifluoroborate [ No CAS ]
[ 831-81-2 ]

Reference： [1]Organic letters,2001,vol. 3,p. 393 - 396

44
[ 119-56-2 ]
[ 831-81-2 ]

Reference： [1]Tetrahedron Letters,2001,vol. 42,p. 831 - 833
[2]Advanced Synthesis and Catalysis,2018,vol. 360,p. 4330 - 4335
[3]RSC Advances,2015,vol. 5,p. 85291 - 85295
[4]Tetrahedron Letters,2010,vol. 51,p. 853 - 855
[5]Green Chemistry,2009,vol. 11,p. 1973 - 1978
[6]Chemistry - A European Journal,2013,vol. 19,p. 5542 - 5545

45
[ 78358-09-5 ]
[ 71-43-2 ]
[ 831-81-2 ]

Reference： [1]Chemistry Letters,2000,p. 1010 - 1011

46
[ 62084-35-9 ]
[ 831-81-2 ]
[ 134-85-0 ]

Reference： [1]Canadian Journal of Chemistry,2000,vol. 78,p. 1242 - 1246

47
[ 104-83-6 ]
[ 98-80-6 ]
[ 831-81-2 ]

Yield	Reaction Conditions	Operation in experiment
86%	With potassium carbonate; sodium chloride; palladium dichloride; cucurbituril; In ethanol; water; at 90℃; for 1h;Inert atmosphere;	General procedure: A round-bottomed flask equipped with a condenser was charged with benzyl chloride (0.5 mmol), arylboronic acid (0.6 mmol), base (0.75 mmol), Pd(II) catalyst (3 mol%) and the mixture was stirred in 5 mL of solvent at 90 C for the required time. After completion, the reaction mixture was diluted with ether (10 mL), water (10 mL) and extracted with ether (3 ×10 mL). The combined extract was dried over MgSO4. After evaporation of the solvent under reduced pressure, the residue was purified by column chromatography to obtain the desired products.
85%	With potassium carbonate; N,N-dimethyl-formamide; palladium dichloride; In water; at 90℃; for 1h;	General procedure: A round-bottomed flask equipped with a condenser was charged with benzyl chloride (0.5 mmol), aryl boronic acid (0.6 mmol), base (1.0 mmol), PdCl2 (1.0 mol%) and the mixture was stirred in 5 mL of solvent at 90 C for the required time. After completion, the reaction mixture was diluted with ether (10 mL), water (10 mL) and extracted with ether (3 × 10 mL). The combined extract was dried over anhydrous Na2SO4. After evaporation of the solvent under reduced pressure, the residue was purified by column chromatography to obtain the desired products.

Reference： [1]Tetrahedron Letters,2004,vol. 45,p. 8225 - 8228
[2]Tetrahedron Letters,2014,vol. 55,p. 5319 - 5322
[3]Tetrahedron Letters,2015,vol. 56,p. 6700 - 6703
[4]Advanced Synthesis and Catalysis,2004,vol. 346,p. 1798 - 1811
[5]Journal of Organometallic Chemistry,2002,vol. 663,p. 46 - 57

48
[ 108-90-7 ]
benzyl 6-nitrobenzothiazol-2-yl carbonate [ No CAS ]
[ 831-81-2 ]
[ 29921-41-3 ]

Reference： [1]Chemistry Letters,2003,vol. 32,p. 814 - 815

49
[ 622-95-7 ]
[ 98-80-6 ]
[ 831-81-2 ]

Reference： [1]Journal of Chemical Research,2013,vol. 37,p. 375 - 376
[2]Tetrahedron Letters,2004,vol. 45,p. 6959 - 6962
[3]Applied Organometallic Chemistry,2012,vol. 26,p. 301 - 304

50
[ 1679-18-1 ]
[ 100-44-7 ]
[ 831-81-2 ]

Reference： [1]Tetrahedron Letters,2004,vol. 45,p. 8225 - 8228
[2]Chemical Communications,2015,vol. 51,p. 14046 - 14049
[3]Applied Organometallic Chemistry,2019,vol. 33

51
[ 108-90-7 ]
[ 100-51-6 ]
[ 831-81-2 ]
[ 29921-41-3 ]

Yield	Reaction Conditions	Operation in experiment
	With triphenylphosphine ditriflate; In dichloromethane; at 20℃; for 2h;	General procedure: To a solution of Ph3PO (0.33 g, 1.2 mmol) in CH2Cl2 (1 mL), Tf2O (0.2 mL, 1.2 mmol) was added at 0 C and the solution was stirred for 15 min at room temperature. Then, arene (1 mmol) and benzyl alcohol (1 mmol) were added to the reaction mixture and the mixture was stirred for the appropriate time shown in Table 1 and Table 2. Upon completion of the reaction, the organic solvent was evaporated and the crude product was purified by column chromatography using n-hexane as eluent to give the diarylmethane. In the case of 4-nitrobenzyl alcohol, EtOAc/n-hexane (1:9) was used as the eluent.

Reference： [1]Canadian Journal of Chemistry,2013,vol. 91,p. 1262 - 1265
[2]Synthetic Communications,2004,vol. 34,p. 3161 - 3165
[3]Journal of Fluorine Chemistry,2005,vol. 126,p. 831 - 833
[4]Tetrahedron Letters,2012,vol. 53,p. 5131 - 5135

52
(4-chlorophenyl)methyl methyl carbonate [ No CAS ]
[ 98-80-6 ]
[ 831-81-2 ]

Reference： [1]Organic Letters,2005,vol. 7,p. 945 - 947

53
[ 140-11-4 ]
[ 108-90-7 ]
[ 831-81-2 ]
[ 29921-41-3 ]
[ 27798-38-5 ]

Reference： [1]Angewandte Chemie - International Edition,2005,vol. 44,p. 238 - 242

54
[ 884-90-2 ]
[ 1679-18-1 ]
[ 831-81-2 ]

Reference： [1]Organic Letters,2005,vol. 7,p. 4875 - 4878

55
[ 831-81-2 ]
[ 109-64-8 ]
1-(4-Bromo-1-phenyl-butyl)-4-chloro-benzene [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2005,vol. 48,p. 6461 - 6471

56
[ 95458-82-5 ]
[ 98-80-6 ]
[ 831-81-2 ]

Reference： [1]Organic Letters,2005,vol. 7,p. 4875 - 4878

57
[ 134-83-8 ]
[ 831-81-2 ]

Reference： [1]Chemistry - A European Journal,2006,vol. 12,p. 1648 - 1656

58
[ 948-54-9 ]
[ 831-81-2 ]

Reference： [1]Chemistry - A European Journal,2006,vol. 12,p. 1648 - 1656

59
[ 5406-33-7 ]
[ 98-80-6 ]
[ 831-81-2 ]

Reference： [1]Chemical Communications,2005,p. 5899 - 5901

60
[ 29540-84-9 ]
[ 100-39-0 ]
[ 831-81-2 ]

Reference： [1]Organic Letters,1999,vol. 1,p. 1323 - 1326

61
[ 17151-48-3 ]
[ 100-44-7 ]
[ 831-81-2 ]

Reference： [1]Tetrahedron Letters,2007,vol. 48,p. 7472 - 7475

62
[ 831-81-2 ]
VUF 5859 [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2005,vol. 48,p. 6461 - 6471

63
[ 873-76-7 ]
[ 831-81-2 ]

Reference： [1]Organic Letters,2005,vol. 7,p. 4875 - 4878
[2]Synlett,2014,vol. 25,p. 2928 - 2932

64
[ 100-51-6 ]
polymer-supported N-benzyloxy-2-nitrobenzenesulfonamide [ No CAS ]
[ 831-81-2 ]

Reference： [1]Organic Letters,2005,vol. 7,p. 4875 - 4878

65
[ 6921-34-2 ]
[ 831-81-2 ]

Reference： [1]Organic letters,2001,vol. 3,p. 393 - 396

66
[ 831-81-2 ]
[ 143462-72-0 ]

Reference： [1]European Journal of Medicinal Chemistry,1994,vol. 29,p. 349 - 356

67
[ 831-81-2 ]
1-[4-(4-Chloro-benzyl)-phenyl]-3-[4-(4-fluoro-phenyl)-3,6-dihydro-2H-pyridin-1-yl]-propan-1-ol [ No CAS ]

Reference： [1]European Journal of Medicinal Chemistry,1994,vol. 29,p. 349 - 356

68
[ 831-81-2 ]
1-[4-(4-Chloro-benzyl)-phenyl]-3-[4-(4-chloro-phenyl)-3,6-dihydro-2H-pyridin-1-yl]-propan-1-ol [ No CAS ]

Reference： [1]European Journal of Medicinal Chemistry,1994,vol. 29,p. 349 - 356

69
[ 831-81-2 ]
3-[4-(3-trifluoro-methyl-phenyl)-1,2,3,6-tetrahydro-1-pyridyl]-1-[4-(4-chloro-benzyl)-phenyl]-1-propanol [ No CAS ]

Reference： [1]European Journal of Medicinal Chemistry,1994,vol. 29,p. 349 - 356

70
[ 831-81-2 ]
1-[4-(4-Chloro-benzyl)-phenyl]-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-propan-1-one; hydrochloride [ No CAS ]

Reference： [1]European Journal of Medicinal Chemistry,1994,vol. 29,p. 349 - 356

71
[ 831-81-2 ]
1-[4-(4-Chloro-benzyl)-phenyl]-3-[4-(4-fluoro-phenyl)-3,6-dihydro-2H-pyridin-1-yl]-propan-1-one; hydrochloride [ No CAS ]

Reference： [1]European Journal of Medicinal Chemistry,1994,vol. 29,p. 349 - 356

72
[ 831-81-2 ]
1-[4-(4-Chloro-benzyl)-phenyl]-3-[4-(4-chloro-phenyl)-3,6-dihydro-2H-pyridin-1-yl]-propan-1-one; hydrochloride [ No CAS ]

Reference： [1]European Journal of Medicinal Chemistry,1994,vol. 29,p. 349 - 356

73
[ 831-81-2 ]
1-[4-(4-Chloro-benzyl)-phenyl]-3-[4-(3-trifluoromethyl-phenyl)-3,6-dihydro-2H-pyridin-1-yl]-propan-1-one; hydrochloride [ No CAS ]

Reference： [1]European Journal of Medicinal Chemistry,1994,vol. 29,p. 349 - 356

74
[ 98-88-4 ]
[ 831-81-2 ]

Reference： [1]Recueil des Travaux Chimiques des Pays-Bas,1907,vol. 26,p. 264

75
[ 108-90-7 ]
[ 831-81-2 ]

Reference： [1]Recueil des Travaux Chimiques des Pays-Bas,1907,vol. 26,p. 264

76
[ 7791-25-5 ]
[ 101-81-5 ]
[ 831-81-2 ]
[ 27798-38-5 ]
[ 7446-09-5 ]

Reference： [1]Journal of Molecular Catalysis A: Chemical,2002,vol. 184,p. 399 - 411

77
[ 7791-25-5 ]
[ 101-81-5 ]
[ 831-81-2 ]
[ 29921-41-3 ]
[ 27798-38-5 ]
[ 52094-02-7 ]
[ 7446-09-5 ]

Reference： [1]Journal of Molecular Catalysis A: Chemical,2002,vol. 184,p. 399 - 411

78
[ 7791-25-5 ]
[ 101-81-5 ]
[ 7647-01-0 ]
[ 831-81-2 ]
[ 29921-41-3 ]
[ 27798-38-5 ]
[ 7446-09-5 ]

Reference： [1]Journal of Molecular Catalysis A: Chemical,2002,vol. 184,p. 399 - 411
[2]Journal of Molecular Catalysis A: Chemical,2002,vol. 184,p. 399 - 411

79
[ 7791-25-5 ]
[ 101-81-5 ]
[ 2051-90-3 ]
[ 831-81-2 ]
[ 29921-41-3 ]
[ 27798-38-5 ]
[ 7446-09-5 ]

80
[ 7791-25-5 ]
[ 101-81-5 ]
[ 101-76-8 ]
[ 2051-90-3 ]
[ 831-81-2 ]
[ 52094-02-7 ]
[ 7446-09-5 ]

Reference： [1]Journal of Molecular Catalysis A: Chemical,2002,vol. 184,p. 399 - 411

81
[ 7791-25-5 ]
[ 101-81-5 ]
[ 101-76-8 ]
[ 831-81-2 ]
[ 32306-73-3 ]
[ 52094-02-7 ]
[ 7446-09-5 ]

Reference： [1]Journal of Molecular Catalysis A: Chemical,2002,vol. 184,p. 399 - 411
[2]Journal of Molecular Catalysis A: Chemical,2002,vol. 184,p. 399 - 411
[3]Journal of Molecular Catalysis A: Chemical,2002,vol. 184,p. 399 - 411
[4]Journal of Molecular Catalysis A: Chemical,2002,vol. 184,p. 399 - 411
[5]Journal of Molecular Catalysis A: Chemical,2002,vol. 184,p. 399 - 411
[6]Journal of Molecular Catalysis A: Chemical,2002,vol. 184,p. 399 - 411
[7]Journal of Molecular Catalysis A: Chemical,2002,vol. 184,p. 399 - 411
[8]Journal of Molecular Catalysis A: Chemical,2002,vol. 184,p. 399 - 411
[9]Journal of Molecular Catalysis A: Chemical,2002,vol. 184,p. 399 - 411
[10]Journal of Molecular Catalysis A: Chemical,2002,vol. 184,p. 399 - 411
[11]Journal of Molecular Catalysis A: Chemical,2002,vol. 184,p. 399 - 411
[12]Journal of Molecular Catalysis A: Chemical,2002,vol. 184,p. 399 - 411
[13]Journal of Molecular Catalysis A: Chemical,2002,vol. 184,p. 399 - 411
[14]Journal of Molecular Catalysis A: Chemical,2002,vol. 184,p. 399 - 411
[15]Journal of Molecular Catalysis A: Chemical,2002,vol. 184,p. 399 - 411

82
[ 7791-25-5 ]
[ 101-81-5 ]
[ 7647-01-0 ]
[ 831-81-2 ]
[ 7446-09-5 ]

Reference： [1]Journal of Molecular Catalysis A: Chemical,2002,vol. 184,p. 399 - 411

83
[ 831-81-2 ]
[ 199620-14-9 ]
pentacarbonyl[p-chlorophenyl(phenyl)vinylidene]chromium [ No CAS ]

Reference： [1]Organometallics,2007,vol. 26,p. 3791 - 3801

84
[ 14040-11-0 ]
[ 831-81-2 ]
pentacarbonyl[p-chlorophenyl(phenyl)vinylidene]tungsten [ No CAS ]

Reference： [1]Organometallics,2007,vol. 26,p. 3791 - 3801

85
[ 960-16-7 ]
(4-chlorophenyl)methyl methyl carbonate [ No CAS ]
[ 831-81-2 ]

Reference： [1]Chemistry Letters,2008,vol. 37,p. 796 - 797

86
[ 104-83-6 ]
potassium phenyltrifluoborate [ No CAS ]
[ 831-81-2 ]

Reference： [1]Organic Letters,2008,vol. 10,p. 5011 - 5014

87
[ 106-39-8 ]
[ 100-44-7 ]
[ 831-81-2 ]

Reference： [1]Chemical Communications,2008,p. 5019 - 5021
[2]Advanced Synthesis and Catalysis,2016,vol. 358,p. 2431 - 2435

88
[ 637-87-6 ]
[ 100-44-7 ]
[ 831-81-2 ]

Reference： [1]Chemical Communications,2008,p. 5019 - 5021

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Ghs Precautionary Statements

Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
P103	Read label before use
Prevention
Code	Phrase
P201	Obtain special instructions before use.
P202	Do not handle until all safety precautions have been read and understood.
P210	Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P211	Do not spray on an open flame or other ignition source.
P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
P242	Use only non-sparking tools.
P243	Take precautionary measures against static discharge.
P244	Keep reduction valves free from grease and oil.
P250	Do not subject to grinding/shock/friction.
P251	Pressurized container: Do not pierce or burn, even after use.
P260	Do not breathe dust/fume/gas/mist/vapours/spray.
P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
P262	Do not get in eyes, on skin, or on clothing.
P263	Avoid contact during pregnancy/while nursing.
P264	Wash hands thoroughly after handling.
P265	Wash skin thouroughly after handling.
P270	Do not eat, drink or smoke when using this product.
P271	Use only outdoors or in a well-ventilated area.
P272	Contaminated work clothing should not be allowed out of the workplace.
P273	Avoid release to the environment.
P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
P282	Wear cold insulating gloves/face shield/eye protection.
P283	Wear fire/flame resistant/retardant clothing.
P284	Wear respiratory protection.
P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
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
{[ item.p_purity ]}	{[ item.pr_size ]}	{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]}	{[ getRatePrice(item.pr_usd, 1,1) ]}	Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]}	{[ item.pr_usastock ]}	Inquiry -	{[ item.pr_chinastock ]}	Inquiry -

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. 831-81-2 ] {[proInfo.proName]}

Quality Control of [ 831-81-2 ]

Related Doc. of [ 831-81-2 ]

Product Details of [ 831-81-2 ]

Calculated chemistry of [ 831-81-2 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 831-81-2 ]

Application In Synthesis of [ 831-81-2 ]

[ 831-81-2 ] Synthesis Path-Downstream 1~88

Related Functional Groups of [ 831-81-2 ]

Aryls

Chlorides

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 831-81-2 ]