(3-Amino-4-methylphenyl)methanol

(3-Amino-4-methylphenyl) · 3-amino-4-methylphenmethylol · 3-Amino-4-methylbenzyl alcohol · (3-Amino-4-methylphenyl)methanol · Benzenemethanol, 3-amino-4-methyl- · 3-AMino-4-Methylbenzyl alcohol 97% · 3-AMINO-4-METHYLBENZYL ALCOHOL USP/EP/BP

https://huagongshe.com/ko/chemical/586243

식별자 및 물리적 특성

CAS No.	81863-45-8
분자식	C8H11NO
평균 분자량	137.18 g/mol
단동위원소 질량	137.08406397 g/mol
SMILES	Cc1ccc(CO)cc1N
InChIKey	BCQKYGYTOHXGLL-UHFFFAOYSA-N
PubChem CID	586243
EC No.	628-925-0

화학 및 물리적 성질

XLogP	0.6
극성 표면적	46.3
수소 결합 공여자 수	2
수소 결합 수용자 수	2
회전 가능 결합 수	1
무거운 원자 수	10
형식 전하	0
복잡도	105
녹는점	107-109 °C (lit.)
끓는 점	297.5±25.0 °C(Predicted)
밀도	1.126±0.06 g/cm3(Predicted)
저장 조건	Keep in dark place,Inert atmosphere,Room temperature
용해도	메탄올에 용해됨
물리적 상태	powder to crystal
pKa(산도 계수)	14.53±0.10(Predicted)
색상	White to Light yellow to Light orange
InChI	1S/C8H11NO/c1-6-2-3-7(5-10)4-8(6)9/h2-4,10H,5,9H2,1H3
InChIKey	BCQKYGYTOHXGLL-UHFFFAOYSA-N
SMILES	Cc1ccc(CO)cc1N

안전 및 규제

GHS 분류	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard Classes and Categories	Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (97.6%)
수질 위해 등급(WGK)	3
관세 코드	2922.19.7000
위험 문구(R)	36/37/38
위험 표시	Xi
안전 문구(S)	26-37/39
위험 등급	Eye Irrit. 2Skin Irrit. 2STOT SE 3
저장 분류	11 - Combustible Solids

용도

3-Amino-4-methylbenzyl alcohol was used in the preparation of 3-(acetyloxymethyl)-6-methylacetanilide.