CAS 84540-50-1 5-Amino-6-Chloro-o-Cresol (HCID 157641)

기본 정보

CAS: 84540-50-1
표준 SMILES: Cc1ccc(N)c(Cl)c1O
InChIKey: XYRDGCCCBJITBH-UHFFFAOYSA-N
분자식: C7H8ClNO
평균 분자량: 157.6 g/mol
단동위원소 질량: 157.02944156

개요

<p>The Expert Panel for Cosmetic Ingredient Safety concluded that 5-Amino-6-Chloro-o-Cresol is safe for use as a hair dye ingredient in the present practices of use and concentration described in this safety assessment.</p>

이름 및 식별자

우선 이름: 5-Amino-6-Chloro-o-Cresol
IUPAC: 3-amino-2-chloro-6-methylphenol
현지명: 5-아미노-6-클로로-o-크레솔
영어명: 3-Amino-2-chlor-6-methylphenol
분자식: C7H8ClNO
분자량: 157.6

이름 및 동의어

84540-50-15-Amino-6-chloro-o-cresol3-amino-2-chloro-6-methylphenol2-Methyl-5-Amino-6-ChlorophenolPHENOL, 3-AMINO-2-CHLORO-6-METHYL-UNII-8077WHL3XK8077WHL3XKJAROCOL ACCCOLOREX 5A6COCEINECS 283-144-92-CHLORO-3-AMINO-6-METHYLPHENOL2-chloro-6-methyl-3-aminophenol

이름 더 보기

5-아미노-6-클로로-o-크레솔3-아미노-2-클로로-6-메틸페놀6-chloro-5-amino-o-cresolCAOC5-AMINO-6-CHLORO-2-METHYLPHENOL2-METHYL-5-AMINO-6-CHAdrenaline Impurity 1025-amino-6-Chloro-2-cresol3-Amino-2-Chloro-6-Cresol

6-methyl-3-amino-2-chlorophenolDTXSID80233531RefChem:101972DTXCID101560225-AMINO-6-CHLORO-O-CRESOL [INCI]283-144-93-Amino-2-chlor-6-methylphenol2-Chloro-4-methyl-3-hydroxyaniline

데이터베이스 식별자

CAS: 84540-50-1
PubChem CID

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 46.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 120

실험 및 물리화학적 성질

Cosmetics · 2건

Cosmetic ingredients (5-Amino-6-Chloro-o-Cresol) -> CIR (Cosmetic Ingredient Review)

Antimicrobial; Hair dyeing

물리화학적 성질

녹는점: 80 · 80-83°C
끓는 점: 262.7 · 262.7±35.0 °C(Predicted)
밀도: 1.331 · 1.331±0.06 g/cm3(Predicted)
증기압: 0.061 · 0.061-2.2Pa at 20-50℃
저장 조건: 2 · 2-8°C
물리적 상태: powder to crystal
산도 계수 (pKa): 8.89 · 8.89±0.15(Predicted)
색상: White to Orange to Green
화장품 원료 기능: 항균색소머리 염색
InChI: InChI=1S/C7H8ClNO/c1-4-2-3-5(9)6(8)7(4)10/h2-3,10H,9H2,1H3
InChIKey: XYRDGCCCBJITBH-UHFFFAOYSA-N
SMILES: C1(O)=C(C)C=CC(N)=C1Cl
LogP: 1.644 at · 1.644 at 23℃ and pH7.27
표면장력: 63.1 mN/m · 63.1mN/m at 1g/L and 21℃

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 84 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 05-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/21096

Phenol, 3-amino-2-chloro-6-methyl-: 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.

Hazard Classes and CategoriesAcute Tox. 4 (97.6%)