CAS 52671-64-4 4-Amino-3-chlorophenol hydrochloride (HCID 12598190)

기본 정보

CAS: 52671-64-4
표준 SMILES: Cl.Nc1ccc(O)cc1Cl
InChIKey: RFJVQGMBFQGZPV-UHFFFAOYSA-N
분자식: C6H7Cl2NO
평균 분자량: 180.03 g/mol
단동위원소 질량: 178.9904692

이름 및 식별자

우선 이름: 4-Amino-3-chlorophenol hydrochloride
IUPAC: 4-amino-3-chlorophenol;hydrochloride
영어명: 4-Amino-3-chlorophenol hydrochloride
분자식: C6H7Cl2NO
분자량: 180.03

이름 및 동의어

4-Amino-3-chlorophenol hydrochloride52671-64-4RefChem:517789610-882-44-Amino-3-chlorophenol HClMFCD001431102-Chloro-4-hydroxyaniline hydrochloride4-amino-3-chlorophenol;hydrochloride3-chloro-4-aminophenol hydrochlorideAKOS015888229AC-94652-chloro-4-hydroxy-aniline hydrochloride

이름 더 보기

3-CHLORO-4-AMINO-PHENOL-HYDROCHLORIDEZinc00395500TIMTEC-BB SBB003750Lenvatinib Impurity 5 HCl3-Chloro-4-aminophenol HClLenvatinib Impurity 67 HClTivozanib Impurity 9(Hydrochloride)

A1376Phenol, 4-amino-3-chloro-, hydrochloride (1:1)Phenol, 4-amino-3-chloro-, hydrochloride4-AMINO-3-CHLOROPHENOLHYDROCHLORIDE3U2DT6AY8RSCHEMBL249529orb3030600DTXSID80503908

데이터베이스 식별자

CAS: 52671-64-4
PubChem CID: 12598190
DTXSID: DTXSID80503908
UNII: 3U2DT6AY8R
EC Number: 610-882-4

물성

구조 계산 물성

극성 표면적: 46.3 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 99

물리화학적 성질

녹는점: 255 °C · 255 °C (dec.)(lit.)
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: powder to crystal
색상: 흰색에서 회색, 갈색까지
BRN: 3697374 · 3697374
InChI: InChI=1S/C6H6ClNO.ClH/c7-5-3-4(9)1-2-6(5)8;/h1-3,9H,8H2;1H
InChIKey: RFJVQGMBFQGZPV-UHFFFAOYSA-N
SMILES: C1(Cl)=CC(=CC=C1N)O.Cl

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory 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 48 reports by companies from 8 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.