[ CAS No. 247133-22-8 ] {[proInfo.proName]}

Name: 247133-22-8|8-Methoxy-2,3,4,5-tetrahydro-1H-benzo[c]azepine|95%
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SKU: A925107
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Quality Control of [ 247133-22-8 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 247133-22-8 ]

Product Details of [ 247133-22-8 ]

CAS No. :	247133-22-8	MDL No. :	MFCD08236791
Formula :	C₁₁H₁₅NO	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	JKOHVMHTUKORNK-UHFFFAOYSA-N
M.W :	177.24	Pubchem ID :	15496954
Synonyms :

Calculated chemistry of [ 247133-22-8 ]

Physicochemical Properties

Num. heavy atoms :	13
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.45
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	1.0
Molar Refractivity :	57.08
TPSA :	21.26 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.21 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.37
Log Po/w (XLOGP3) :	1.65
Log Po/w (WLOGP) :	1.2
Log Po/w (MLOGP) :	1.73
Log Po/w (SILICOS-IT) :	2.65
Consensus Log Po/w :	1.92

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.25
Solubility :	0.988 mg/ml ; 0.00557 mol/l
Class :	Soluble
Log S (Ali) :	-1.71
Solubility :	3.46 mg/ml ; 0.0195 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-3.68
Solubility :	0.0368 mg/ml ; 0.000207 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.83

Safety of [ 247133-22-8 ]

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

Application In Synthesis of [ 247133-22-8 ]

* 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 [ 247133-22-8 ]

[ 247133-22-8 ] Synthesis Path-Downstream 1~26

1
[ 341548-14-9 ]
[ 247133-22-8 ]

Yield	Reaction Conditions	Operation in experiment
93%	With sodium hydroxide In ethanol; water for 1h; Heating;

Reference： [1]Horiguchi, Yoshie; Saitoh, Toshiaki; Terakado, Sachiko; Honda, Konomi; Kimura, Tomoko; Toda, Jun; Sano, Takehiro [Heterocycles, 2001, vol. 54, # 2, p. 967 - 984]

2
[ 22246-71-5 ]
[ 247133-22-8 ]

Yield	Reaction Conditions	Operation in experiment
	With lithium aluminium tetrahydride In tetrahydrofuran; 1,4-dioxane for 20h; Heating;
	With sodium hydroxide In tetrahydrofuran; 1,4-dioxane	41.2 8-Methoxy-2,3,4,5-tetrahydro-1H-benz[c]azepine Step 2 8-Methoxy-2,3,4,5-tetrahydro-1H-benz[c]azepine To a solution of lithium aluminum hydride (3.07 g) in tetrahydrofuran (60 ml) was dropwise added a solution of 8-methoxy-2,3,4,5-tetrahydrobenz[c]azepin-1-one (4.42 g) in 1,4-dioxane (30 ml) with ice-cooling and the mixture was refluxed for 20 hours. After completion of the reaction, 20% aqueous sodium hydroxide solution was added dropwise with ice-cooling, and the mixture was stirred at room temperature for 1 hour. After completion of the reaction, the reaction mixture was filtrated, and the solvent was evaporated and the residue was dried under reduced pressure to give the title compound (4.05 g). 1H-NMR (δ ppm, CDCl3) 1.68 (m, 2H), 2.82-2.90 (m, 2H), 3.10-3.25 (m, 2H), 3.77 (s, 3H), 3.88 (s, 2H), 6.60-6.70 (2H), 7.05 (1H).
	With lithium aluminium tetrahydride In tetrahydrofuran at 20 - 80℃; for 1.5h; Heating / reflux;	81.2 8-methoxy-2,3,4,5-tetrahydro-benzo[C]-azepin-l-one (0.512 g, 2.68 mmol) was stirred in anhydrous tetrahydrofiiran (13.4 mL) at room temperature under nitrogen. A solution of lithium aluminum hydride in tetrahydrofiiran (IM, 4.02 mL) was added dropwise via syringe to the clear solution. The resulting reaction mixture was refluxed at 8O0C for 1.5 hours. The reaction was cooled to room temperature and then brought to O0C with an ice bath. This was quenched by slow addition of saturated potassium sodium tartrate. The biphase was stirred at room temperature for 30 minutes and extracted with ethyl acetate (2x). The combined organic layers were washed with water, brine, dried over sodium sulfate, filtered and concentrated in vacuo to yield the title compound as a clear oil.

Reference： [1]Ueno, Hiroshi; Yokota, Katsuyuki; Hoshi, Jun-Ichi; Yasue, Katsutaka; Hayashi, Mikio; Hase, Yasunori; Uchida, Itsuo; Aisaka, Kazuo; Katoh, Susumu; Cho, Hidetsura [Journal of Medicinal Chemistry, 2005, vol. 48, # 10, p. 3586 - 3604]
[2]Current Patent Assignee: JAPAN TOBACCO INC - US6562828, 2003, B1
[3]Current Patent Assignee: MERCK & CO INC - WO2008/54605, 2008, A2 Location in patent: Page/Page column 68

3
[ 247133-22-8 ]
2,3,4,5-tetrahydro-1H-2-benzazepin-8-ol hydrobromide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With hydrogen bromide for 2h; Heating;
	In aqueous hydrogen bromide; diethyl ether; ethanol	41.3 8-Hydroxy-2,3,4,5-tetrahydro-1H-benz[c]azepine Hydrobromide Step 3 8-Hydroxy-2,3,4,5-tetrahydro-1H-benz[c]azepine Hydrobromide 8-Methoxy-2,3,4,5-tetrahydro-1H-benz[c]azepine (3.65 g) was dissolved in 48% aqueous hydrogen bromide solution (36 ml) and the mixture was refluxed for 2 hours. The solvent was evaporated and ethanol and diethyl ether were added to the obtained residue. The mixture was filtrated and dried under reduced pressure to give the title compound (4.56 g). 1H-NMR (δ ppm, DMSO-d6) 1.80-1.83 (m, 2H), 2.85-2.88 (m, 2H), 3.22 (m, 2H), 4.20-4.22 (m, 2H), 6.69 (dd, J=2.5, 8.1 Hz, 1H), 6.82 (d, J=2.5 Hz, 1H), 7.05 (d, J=8.1 Hz, 1H), 8.80 (brs, 2H), 9.42 (brs, 1H).

4
[ 247133-22-8 ]
[ 247133-24-0 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: aq. HBr / 2 h / Heating 2: aq. NaOH / dioxane / 12 h / 20 °C

5
[ 247133-22-8 ]
[ 247133-25-1 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1.1: aq. HBr / 2 h / Heating 2.1: aq. NaOH / dioxane / 12 h / 20 °C 3.1: NaH / dimethylformamide / 0.5 h / 0 °C 3.2: dimethylformamide / 12 h / 20 °C

6
[ 247133-22-8 ]
[ 854261-82-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 4 steps 1.1: aq. HBr / 2 h / Heating 2.1: aq. NaOH / dioxane / 12 h / 20 °C 3.1: NaH / dimethylformamide / 0.5 h / 0 °C 3.2: dimethylformamide / 12 h / 20 °C 4.1: SO₂Cl₂ / CH₂Cl₂ / 1 h / 0 °C

7
[ 247133-22-8 ]
[ 247133-27-3 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 6 steps 1.1: aq. HBr / 2 h / Heating 2.1: aq. NaOH / dioxane / 12 h / 20 °C 3.1: NaH / dimethylformamide / 0.5 h / 0 °C 3.2: dimethylformamide / 12 h / 20 °C 4.1: SO₂Cl₂ / CH₂Cl₂ / 1 h / 0 °C 5.1: LDA / tetrahydrofuran / 0.75 h / -70 °C 5.2: 54 percent / tetrahydrofuran / 5.5 h / 20 °C 6.1: TFA / CHCl₃ / 1 h / 20 °C

8
[ 247133-22-8 ]
[ 247134-39-0 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 7 steps 1.1: aq. HBr / 2 h / Heating 2.1: aq. NaOH / dioxane / 12 h / 20 °C 3.1: NaH / dimethylformamide / 0.5 h / 0 °C 3.2: dimethylformamide / 12 h / 20 °C 4.1: SO₂Cl₂ / CH₂Cl₂ / 1 h / 0 °C 5.1: LDA / tetrahydrofuran / 0.75 h / -70 °C 5.2: 54 percent / tetrahydrofuran / 5.5 h / 20 °C 6.1: TFA / CHCl₃ / 1 h / 20 °C 7.1: iPr₂NEt / dimethylformamide / 1 h / 20 °C

9
[ 247133-22-8 ]
[ 247133-26-2 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 5 steps 1.1: aq. HBr / 2 h / Heating 2.1: aq. NaOH / dioxane / 12 h / 20 °C 3.1: NaH / dimethylformamide / 0.5 h / 0 °C 3.2: dimethylformamide / 12 h / 20 °C 4.1: SO₂Cl₂ / CH₂Cl₂ / 1 h / 0 °C 5.1: LDA / tetrahydrofuran / 0.75 h / -70 °C 5.2: 54 percent / tetrahydrofuran / 5.5 h / 20 °C

10
[ 247133-22-8 ]
4-(2-carbamimidoyl-2,3,4,5-tetrahydro-1H-benzo[c]azepin-8-yloxymethyl)-3,4,5,6-tetrahydro-2H-[1,4']bipyridinyl-4-carboxylic acid; compound with GENERIC INORGANIC NEUTRAL COMPONENT [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 8 steps 1.1: aq. HBr / 2 h / Heating 2.1: aq. NaOH / dioxane / 12 h / 20 °C 3.1: NaH / dimethylformamide / 0.5 h / 0 °C 3.2: dimethylformamide / 12 h / 20 °C 4.1: SO₂Cl₂ / CH₂Cl₂ / 1 h / 0 °C 5.1: LDA / tetrahydrofuran / 0.75 h / -70 °C 5.2: 54 percent / tetrahydrofuran / 5.5 h / 20 °C 6.1: TFA / CHCl₃ / 1 h / 20 °C 7.1: iPr₂NEt / dimethylformamide / 1 h / 20 °C 8.1: aq. HCl / 3 h / Heating

11
[ 591-31-1 ]
[ 247133-22-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 6 steps 1.1: acetic acid / ethanol / 23 h / Heating 1.2: 84 percent / NaBH₄ / ethanol / 0.5 h / 0 - 20 °C 2.1: 94 percent / Ac₂O / 1 h / 70 °C 3.1: 75 percent / NaIO₄ / H₂O; methanol / 5 h / 20 °C 4.1: 78 percent / TFAA; BF₃Et₂O / benzene / 3 h / 20 °C 5.1: 71 percent / NiCl6H₂O; NaBH₄ / methanol; tetrahydrofuran / 0.33 h / 0 °C 6.1: 93 percent / NaOH / ethanol; H₂O / 1 h / Heating

Reference： [1]Horiguchi, Yoshie; Saitoh, Toshiaki; Terakado, Sachiko; Honda, Konomi; Kimura, Tomoko; Toda, Jun; Sano, Takehiro [Heterocycles, 2001, vol. 54, # 2, p. 967 - 984]

12
[ 341547-88-4 ]
[ 247133-22-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 5 steps 1: 94 percent / Ac₂O / 1 h / 70 °C 2: 75 percent / NaIO₄ / H₂O; methanol / 5 h / 20 °C 3: 78 percent / TFAA; BF₃Et₂O / benzene / 3 h / 20 °C 4: 71 percent / NiCl6H₂O; NaBH₄ / methanol; tetrahydrofuran / 0.33 h / 0 °C 5: 93 percent / NaOH / ethanol; H₂O / 1 h / Heating

Reference： [1]Horiguchi, Yoshie; Saitoh, Toshiaki; Terakado, Sachiko; Honda, Konomi; Kimura, Tomoko; Toda, Jun; Sano, Takehiro [Heterocycles, 2001, vol. 54, # 2, p. 967 - 984]

13
[ 341547-95-3 ]
[ 247133-22-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 4 steps 1: 75 percent / NaIO₄ / H₂O; methanol / 5 h / 20 °C 2: 78 percent / TFAA; BF₃Et₂O / benzene / 3 h / 20 °C 3: 71 percent / NiCl6H₂O; NaBH₄ / methanol; tetrahydrofuran / 0.33 h / 0 °C 4: 93 percent / NaOH / ethanol; H₂O / 1 h / Heating

Reference： [1]Horiguchi, Yoshie; Saitoh, Toshiaki; Terakado, Sachiko; Honda, Konomi; Kimura, Tomoko; Toda, Jun; Sano, Takehiro [Heterocycles, 2001, vol. 54, # 2, p. 967 - 984]

14
[ 341548-07-0 ]
[ 247133-22-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: 71 percent / NiCl*6H₂O; NaBH₄ / methanol; tetrahydrofuran / 0.33 h / 0 °C 2: 93 percent / NaOH / ethanol; H₂O / 1 h / Heating

Reference： [1]Horiguchi, Yoshie; Saitoh, Toshiaki; Terakado, Sachiko; Honda, Konomi; Kimura, Tomoko; Toda, Jun; Sano, Takehiro [Heterocycles, 2001, vol. 54, # 2, p. 967 - 984]

15
[ 341548-01-4 ]
[ 247133-22-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1: 78 percent / TFAA; BF₃Et₂O / benzene / 3 h / 20 °C 2: 71 percent / NiCl6H₂O; NaBH₄ / methanol; tetrahydrofuran / 0.33 h / 0 °C 3: 93 percent / NaOH / ethanol; H₂O / 1 h / Heating

Reference： [1]Horiguchi, Yoshie; Saitoh, Toshiaki; Terakado, Sachiko; Honda, Konomi; Kimura, Tomoko; Toda, Jun; Sano, Takehiro [Heterocycles, 2001, vol. 54, # 2, p. 967 - 984]

Yield	Reaction Conditions	Operation in experiment
		27.1 Example 27) 1) According to the same procedures as those of Reference Example 1), Reference Example 7) and Reference Example 8) successively using α-bromo-m-xylene and 8-methoxy-2,3,4,5-tetrahydro-1H-2-benzazepine, 2-[(3-methylphenyl)methyl]-8-[2-(4-piperidinyl)ethoxy]-2,3,4,5-tetrahydro-1H-2-benzazepine was obtained as colorless crystals having a melting point of 56-57°C. Elemental analysis for C25H34N2O Calcd.: C, 79.32; H, 9.05; N, 7.40 Found: C, 79.23; H, 8.93; N, 7.39

17
[ 459-46-1 ]
[ 247133-22-8 ]
[ 355395-74-3 ]

Yield	Reaction Conditions	Operation in experiment
		R.42 Reference Example 42) Reference Example 42) 2-[(4-Fluorophenyl)methyl]-8-[3-(4-piperidinyl)propoxy]-2,3,4,5-tetrahydro-1H-2-benzazepine According to the same procedures as those of Reference Example 1), Reference Example 7) and Reference Example 8) successively using 4-fluorobenzyl bromide and 8-methoxy-2,3,4,5-tetrahydro-1H-2-benzazepine, the title compound was obtained as colorless crystals having a melting point of 88-89°C. Elemental analysis for C24H33FN2O·0.5H2O Calcd.: C, 74.04; H, 8.45; N, 6.91 Found: C, 73.82; H, 8.10; N, 6.74

Reference： [1]Current Patent Assignee: TAKEDA PHARMACEUTICAL COMPANY LIMITED - EP1122252, 2001, A1

18
[ 24424-99-5 ]
[ 247133-22-8 ]
[ 860436-73-3 ]
[ 860436-72-2 ]

Yield	Reaction Conditions	Operation in experiment
	Stage #1: 8-Methoxy-2,3,4,5-tetrahydro-1H-benz[c]azepine With sulfuryl dichloride; acetic acid at 20℃; for 2.5h; Stage #2: di-<i>tert</i>-butyl dicarbonate With triethylamine In N,N-dimethyl-formamide at 20℃; for 2h; Further stages. Title compound not separated from byproducts.;

Reference： [1]Berglund, Magnus; Dalence-Guzman, Maria F.; Skogvall, Staffan; Sterner, Olov [Bioorganic and Medicinal Chemistry, 2008, vol. 16, # 5, p. 2513 - 2528]

19
[ 17608-10-5 ]
[ 247133-22-8 ]
9-chloro-N-[2-(4-chlorophenyl)ethyl]-8-hydroxy-1,3,4,5-tetrahydro-2H-2-benzazepine-2-carbothioamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multistep reaction.;

Reference： [1]Berglund, Magnus; Dalence-Guzman, Maria F.; Skogvall, Staffan; Sterner, Olov [Bioorganic and Medicinal Chemistry, 2008, vol. 16, # 5, p. 2513 - 2528]

20
[ 17608-10-5 ]
[ 247133-22-8 ]
7-chloro-N-[2-(4-chlorophenyl)ethyl]-8-hydroxy-1,3,4,5-tetrahydro-2H-2-benzazepine-2-carbothioamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multistep reaction.;

Reference： [1]Berglund, Magnus; Dalence-Guzman, Maria F.; Skogvall, Staffan; Sterner, Olov [Bioorganic and Medicinal Chemistry, 2008, vol. 16, # 5, p. 2513 - 2528]

21
[ 4133-34-0 ]
[ 50351-80-9 ]
[ 247133-22-8 ]

Yield	Reaction Conditions	Operation in experiment
	Stage #1: 7-methoxyl-2-tetralone With sodium azide; sulfuric acid Stage #2: With borane In tetrahydrofuran for 18h; Reflux;

Reference： [1]Location in patent: scheme or table Luckhurst, Christopher A.; Ratcliffe, Marianne; Stein, Linda; Furber, Mark; Botterell, Sara; Laughton, David; Tomlinson, Wendy; Weaver, Richard; Chohan, Kamaldeep; Walding, Andrew [Bioorganic and Medicinal Chemistry Letters, 2011, vol. 21, # 1, p. 531 - 536]

22
[ 247133-22-8 ]
[ 1206453-25-9 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 4 steps 1.1: sodium tris(acetoxy)borohydride / dichloromethane / 15 h / 20 °C 2.1: trifluoroacetic acid / dichloromethane / 20 h / 20 °C 3.1: lithium hydroxide / tetrahydrofuran; methanol; water / 16 h / 20 °C 3.2: 15 h / 60 °C 4.1: trifluoroacetic acid / dichloromethane / 16 h / 20 °C

Reference： [1]De Lera Ruiz, Manuel; Zheng, Junying; Berlin, Michael Y.; McCormick, Kevin D.; Aslanian, Robert G.; West, Robert; Hwa, Joyce; Lachowicz, Jean; Van Heek, Margaret [Bioorganic and Medicinal Chemistry Letters, 2013, vol. 23, # 21, p. 6004 - 6009]

23
[ 247133-22-8 ]
C₁₆H₂₄N₂O [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: sodium tris(acetoxy)borohydride / dichloromethane / 15 h / 20 °C 2: trifluoroacetic acid / dichloromethane / 20 h / 20 °C

24
[ 247133-22-8 ]
C₃₃H₄₆FN₅O₄ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1.1: sodium tris(acetoxy)borohydride / dichloromethane / 15 h / 20 °C 2.1: trifluoroacetic acid / dichloromethane / 20 h / 20 °C 3.1: lithium hydroxide / tetrahydrofuran; methanol; water / 16 h / 20 °C 3.2: 15 h / 60 °C

25
[ 79099-07-3 ]
[ 247133-22-8 ]
C₂₁H₃₂N₂O₃ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With sodium tris(acetoxy)borohydride In dichloromethane at 20℃; for 15h;

26
[ 17608-10-5 ]
[ 247133-22-8 ]
N-[2-(4-chlorophenyl)ethyl]-8-methoxy-2,3,4,5-tetrahydro-1H-2-benzazepine-2-carbothioamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With triethylamine In N,N-dimethyl-formamide at 20℃;	General procedure: To a stirring solution of amine 4 (1 equiv) and TEA (3 equiv) in DMF(2 mL) was added the crude isocyanate solution prepared above (1.2equiv) and the resulting mixture was stirred at room temperature for2-4 h. Once complete by TLC, the mixture was diluted with ethylacetate and washed with excess water and brine. The ethyl acetate layerwas collected, dried with sodium sulfate and concentrated in vacuo. Theresulting crude material was subjected to SiO2 flash chromatography(eluent: ethyl acetate/DCM gradient) to provide the desired products ofgeneral structure 6 in 5-95% yield.

Reference： [1]Chapa, Jorge De La; Valdez, Matthew; Ruiz, Franscisco; Gonzales, Keith; Mitchell, Wes; McHardy, Stanton F.; Hart, Matthew; Polusani, Srikanth R.; Gonzales, Cara B. [Bioorganic and Medicinal Chemistry, 2019, vol. 27, # 1, p. 208 - 215]

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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

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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. 247133-22-8 ] {[proInfo.proName]}

Quality Control of [ 247133-22-8 ]

Related Doc. of [ 247133-22-8 ]

Product Details of [ 247133-22-8 ]

Calculated chemistry of [ 247133-22-8 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 247133-22-8 ]

Application In Synthesis of [ 247133-22-8 ]

[ 247133-22-8 ] Synthesis Path-Downstream 1~26

Related Functional Groups of [ 247133-22-8 ]

Ethers

Related Parent Nucleus of [ 247133-22-8 ]

Other Aromatic Heterocycles

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 247133-22-8 ]

Related Parent Nucleus of
[ 247133-22-8 ]