2-아미노-4-메틸페놀

2-아미노-4-메틸페놀 · 2-아미노-p-크레졸 · 2-AMINO-4-METHYLPHENOL · 4-Methyl-2-aminophenol · O-AMINO-P-METHYLPHENOL · 2-AMINO-PARA-CRESOL, 97% · 2-HYDROXY-5-METHYLANILINE · CRESAMINE

https://huagongshe.com/ko/chemical/7264

식별자 및 물리적 특성

CAS No.	95-84-1
분자식	C7H9NO
평균 분자량	123.15 g/mol
단동위원소 질량	123.06841391 g/mol
SMILES	Cc1ccc(O)c(N)c1
InChIKey	ZMXYNJXDULEQCK-UHFFFAOYSA-N
PubChem CID	7264
ChEMBL	CHEMBL224282
ChEBI	CHEBI:39713
EC No.	202-457-3
DTXSID	DTXSID4024488
현지명	2-아미노-4-메틸페놀

화학 및 물리적 성질

XLogP	1.2
극성 표면적	46.3
수소 결합 공여자 수	2
수소 결합 수용자 수	2
회전 가능 결합 수	0
무거운 원자 수	9
형식 전하	0
복잡도	94.9
물질 분류	Nitrogen Compounds -> Amino Phenols
의약품	Pharmaceuticals -> Listed in ZINC15
용해도	less than 1 mg/mL at 68 °F (NTP, 1992)물에 약간 용해됨
끓는 점	Sublimes (NTP, 1992)229.26°C (rough estimate)
녹는점	279 °F (NTP, 1992)133-136 °C(lit.)
증기압	0.00308 [mmHg]
Physical Description	2-amino-4-methylphenol is a brown powder. (NTP, 1992)Brown solid[CAMEO] Dark brown crystalline solid[Sigma-Aldrich MSDS]
밀도	1.0877 (rough estimate)
굴절률	1.5706 (estimate)
저장 조건	Keep in dark place,Inert atmosphere,Room temperature
pKa(산도 계수)	10.06±0.18(Predicted)
물리적 상태	플레이크 또는 결정성 분말
색상	베이지~회갈색
용해도	약간 용해됨
BRN	606494
InChI	InChI=1S/C7H9NO/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,8H2,1H3
InChIKey	ZMXYNJXDULEQCK-UHFFFAOYSA-N
SMILES	C1(O)=CC=C(C)C=C1N
EPA	2-Amino-p-cresol (95-84-1)

화학적 성질

White crystal powder

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 1.5% (1 of 65) of reports.WarningH302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 65 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Status: Active Update: 20-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20332Phenol, 2-amino-4-methyl-: Does not have an individual approval but may be used under an appropriate group standard
운송 라벨(DOT)	Poison
화재 위험	Flash point data for this chemical are not available, however it is probably combustible. (NTP, 1992)
건강 유해성	SYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin, eyes and mucous membranes.
유해성 요약	A skin, eye, and mucous membrane irritant[NTP] A skin and strong eye irritant[Sigma-Aldrich MSDS]
반응성 그룹	Phenols and Cresols
Reactivity Profile	2-AMINO-4-METHYLPHENOL reacts with strong oxidizing agents. (NTP, 1992)
Air and Water Reactions	It may be sensitive to prolonged exposure to air. Insoluble in water.
Hazard Classes and Categories	Acute Tox. 4 (20%)
소화	Fires involving this compound can be extinguished using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
응급 처치	EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

용도

2-Amino-4-methylphenol was used in the synthesis of novel functionalized spiropyran derivatives of 2H-1,3-benzoxazinone series.

일반 설명

Brown powder.