2-아미노-4-메틸페놀
2-Amino-4-methylphenol
기본 정보
- CAS
95-84-1- 표준 SMILES
Cc1ccc(O)c(N)c1- InChIKey
ZMXYNJXDULEQCK-UHFFFAOYSA-N- 분자식
- C7H9NO
- 평균 분자량
- 123.15 g/mol
- 단동위원소 질량
- 123.06841391
개요
2-amino-4-methylphenol is a brown powder. (NTP, 1992)
이름 및 식별자
- 우선 이름
- 2-Amino-4-methylphenol
- IUPAC
- 2-amino-4-methylphenol
- 현지명
- 2-아미노-4-메틸페놀
- 영어명
- 2-Amino-p-cresol
- 분자식
- C7H9NO
- 분자량
- 123.15
이름 및 동의어
2-Amino-4-methylphenol95-84-12-Amino-p-cresol2-Hydroxy-5-methylaniline3-Amino-4-hydroxytoluene6-Hydroxy-m-toluidine4-Methyl-2-aminophenolPhenol, 2-amino-4-methyl-5-Methyl-2-hydroxyanilinep-Cresol, 2-amino-DTXSID40244881-amino-2-hydroxy-5-methylbenzene
이름 더 보기
2-아미노-4-메틸페놀2-아미노-p-크레졸O-AMINO-P-METHYLPHENOL2-AMINO-PARA-CRESOL, 97%CRESAMINEO-AMINO-P-CRESOL2-Amino-p-kresol
9ZV2574SER1-HYDROXY-2-AMINO-4-METHYLBENZENENSC-7630NSC-60737DTXCID804488RefChem:85218202-457-32-Amino-4-cresol
데이터베이스 식별자
- CAS
95-84-1- PubChem CID
- 7264
- DTXSID
DTXSID4024488- ChEMBL
CHEMBL224282- ChEBI
CHEBI:39713- UNII
- 9ZV2574SER
- EC Number
- 202-457-3
- Nikkaji
- J95.381D
물성
구조 계산 물성
- XLogP
- 1.2
- 극성 표면적
- 46.3 Ų
- 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
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Amino Phenols
DrugsPharmaceuticals -> Listed in ZINC15
LogP1.11
Solubilityless than 1 mg/mL at 68 °F (NTP, 1992)
Boiling PointSublimes (NTP, 1992)
Melting Point279 °F (NTP, 1992)
Vapor Pressure0.00308 [mmHg]
Physical Description
2-amino-4-methylphenol is a brown powder. (NTP, 1992)
Brown solid; [CAMEO] Dark brown crystalline solid; [Sigma-Aldrich MSDS]
물리화학적 성질
- 녹는점
- 133 · 133-136 °C(lit.)
- 끓는 점
- 229.26 °C · 229.26°C (rough estimate)
- 밀도
- 1.0877 · 1.0877 (rough estimate)
- 굴절률
- 1.5706 · 1.5706 (estimate)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 1.5% (1 of 65) of reports.
Warning
H302 (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.
유해성 정보
Regulatory Information
REACH registered substance: 2-amino-p-cresol (EC: 202-457-3)
Phenol, 2-amino-4-methyl-: Does not have an individual approval but may be used under an appropriate group standard
DOT LabelPoison
Fire HazardsFlash point data for this chemical are not available, however it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin, eyes and mucous membranes.
Hazards SummaryA skin, eye, and mucous membrane irritant; [NTP] A skin and strong eye irritant; [Sigma-Aldrich MSDS]
Reactive GroupPhenols and Cresols
Reactivity Profile2-AMINO-4-METHYLPHENOL reacts with strong oxidizing agents. (NTP, 1992)
Air and Water ReactionsIt may be sensitive to prolonged exposure to air. Insoluble in water.
화학 및 산업
용도 및 제조
UsesUsed as an intermediate for organic chemicals and dyes; [NTP]
General Manufacturing InformationPhenol, 2-amino-4-methyl-: ACTIVE
응용 분야
용도2-Amino-4-methylphenol was used in the synthesis of novel functionalized spiropyran derivatives of 2H-1,3-benzoxazinone series.
일반 설명Brown powder.
상·하류 제품 정보
상류 원료
하류 제품
관련 반응
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