기본 정보
- 표준 SMILES
Nc1cc(Cl)c(NCCO)cc1[N+](=O)[O-]- InChIKey
QNJWQAYYVNKOKR-UHFFFAOYSA-N- 분자식
- C8H10ClN3O3
- 평균 분자량
- 231.63 g/mol
- 단동위원소 질량
- 231.0410689
이름 및 식별자
- 우선 이름
- 2-((4-Amino-2-chloro-5-nitrophenyl)amino)ethanol
- IUPAC
- 2-(4-amino-2-chloro-5-nitroanilino)ethanol
- 현지명
- 2-클로로-5-나이트로-N-하이드록시에틸p-페닐렌다이아민
- 영어명
- 2-Chloro-5-nitro-N-hydroxyethyl p-phenylenediamine
- 분자식
- C8H10ClN3O3
- 분자량
- 231.64
이름 및 동의어
50610-28-1EINECS 256-652-32-((4-Amino-2-chloro-5-nitrophenyl)amino)ethanolEthanol, 2-((4-amino-2-chloro-5-nitrophenyl)amino)-2-[(4-AMINO-2-CHLORO-5-NITROPHENYL)AMINO]ETHANOLEthanol, 2-[(4-amino-2-chloro-5-nitrophenyl)amino]-2-Nitro-5-chloro-N-(2-hydroxyethyl) p-phenylendiamineRefChem:448821Ethanol, 2-(4-amino-2-chloro-5-nitrophenyl)amino-2-Chloro-5-nitro-N-hydroxyethyl p-phenylenediamine2-(4-amino-2-chloro-5-nitroanilino)ethanol2-chloro-5-nitro-n-hydroxyethyl-p-phenylenediamine
이름 더 보기
2-클로로-5-나이트로-N-하이드록시에틸p-페닐렌다이아민2-클로로-5-나이트로-N-하이드록시에틸-p-페닐렌다이아민2-클로로-5-나이트로-N-하이드록시에틸-p-페닐렌다이아민및그염류2-CHLORO-5-NITRO-N-HYDROXYETHYLP-페닐렌다이아민2-[(4-amino-2-chloro-5-nitrophenyl)amino]-Ethanol1-AMINO-2-NITRO-4-HYDROXYETHYLAMINE-5-CHLOROBENZENE2-CHLORO-5-NITRO-N-HYDROXYETHYL-PARA-PHENYLENEDIAMINE
12M0RVW0182-Chloro-5-nitro-n-hydroxyethylp-phenylenediamineUNII-12M0RVW018starbld0009823SCHEMBL23909SCHEMBL29378395DTXSID90866157NS00013453
데이터베이스 식별자
- CAS
50610-28-1- PubChem CID
- 5490271
- DTXSID
DTXSID90866157- UNII
- 12M0RVW018
- EC Number
- 256-652-3
- Nikkaji
- J261.556H
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 104 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 224
물리화학적 성질
- 녹는점
- 130 °C · 130 °C
- 끓는 점
- 461.2 · 461.2±45.0 °C(Predicted)
- 밀도
- 1.554 · 1.554±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 14.52 · 14.52±0.10(Predicted)
- 화장품 원료 기능
- 머리 염색
안전 및 규제
GHS 분류
GHS Classification
Warning
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information
Chemical: Ethanol, 2-[(4-amino-2-chloro-5-nitrophenyl)amino]-
Ethanol, 2-(4-amino-2-chloro-5-nitrophenyl)amino-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Ethanol, 2-[(4-amino-2-chloro-5-nitrophenyl)amino]-: Human health tier II assessment
Hazard Classes and CategoriesSkin sensitisation - category 1
규제 정보
Regulatory Information
Chemical: Ethanol, 2-[(4-amino-2-chloro-5-nitrophenyl)amino]-
Ethanol, 2-(4-amino-2-chloro-5-nitrophenyl)amino-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
화학 및 산업
용도 및 제조
Use ClassificationCosmetics -> Hair dyeing
공급사1 곳
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