3,5-Dichloro-4-hydroxybenzoic acid (HCID 18749)

개요

3,5-dichloro-4-hydroxybenzoic acid is a derivative of p-salicylic acid with chloro- substituents at C-3 and C-5 of the benzene ring. It is a dichlorobenzene and a monohydroxybenzoic acid. It is functionally related to a benzoic acid and a 4-hydroxybenzoic acid. It is a conjugate acid of a 3,5-dichloro-4-hydroxybenzoate.

이름 및 식별자

우선 이름: 3,5-Dichloro-4-hydroxybenzoic acid
IUPAC: 3,5-dichloro-4-hydroxybenzoic acid
영어명: 3,5-Dichloro-4-hydroxybenzoic acid
분자식: C7H4Cl2O3
분자량: 207.01

이름 및 동의어

3,5-Dichloro-4-hydroxybenzoic acid3336-41-2DiClHBzCHEBI:536853,5-dichloro-p-salicylic acidDTXSID60186975RefChem:486730DTXCID00109466222-071-9InChI=1/C7H4Cl2O3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,123,5-Dichloro-4-hydroxy-benzoic acidBENZOIC ACID, 3,5-DICHLORO-4-HYDROXY-

이름 더 보기

,5-Dichloro-4-hydroxybenzoic acid2-(benzo[d]thiazol-3(2H)-yl)-1-(3,5-dichloro-4-methoxyphenyl)ethanoneAKOS BBS-00006921RARECHEM AL BE 0933Dotinurad Impurity 34Dotinurad Impurity 24LABOTEST-BB LT00454970Tetrahydrozoline Impurity 43,5-dichloro-4-hydroxybenzoate3,5-dichloro-4-hydroxy-benzoicaci

MFCD00002550AI3-33354CHEMBL5630928NSC-211853,5-Dichloro-4-hydroxybenzoicacidEINECS 222-071-9NSC 21185BRN 2616297

데이터베이스 식별자

CAS: 3336-41-2
PubChem CID: 18749
DTXSID: DTXSID60186975
ChEMBL: CHEMBL5630928
ChEBI: CHEBI:53685
UNII: Y8BF62TK9Q
EC Number: 222-071-9
Nikkaji: J73.944H

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 57.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 173

실험 및 물리화학적 성질

PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

녹는점: 264 · 264-266 °C (lit.)
끓는 점: 297.29 °C · 297.29°C (rough estimate)
밀도: 1.5281 · 1.5281 (rough estimate)
굴절률: 1.4845 · 1.4845 (estimate)
저장 조건: Inert atmosphere,Room Temperature
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 3.83 · 3.83±0.10(Predicted)
색상: 흰색에서 황백색까지
BRN: 2616297 · 2616297
InChI: InChI=1S/C7H4Cl2O3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12)
InChIKey: AULKDLUOQCUNOK-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC(Cl)=C(O)C(Cl)=C1
NIST: 3 · 3,5-Dichloro-4-hydroxybenzoic acid(3336-41-2)

화학적 성질

White to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationCommission Regulation No 844/2012

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
rtecs: DG7502000
HS 번호: 29182900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

응용 분야

용도3,5-Dichloro-4-hydroxybenzoic Acid can be used as cyclin dependent kinase inhibitors to treat cell proliferative disorders, such as, cancer.

상·하류 제품 정보

상류 원료

에틸파라벤 4-하이드록시벤조 산(과산화 수소 염산

하류 제품

3',5'-DICHLORO-4'-HYDROXYACETOPHENONE 3,5-DICHLORO-4-METHOXYBENZOIC ACID 2,6-디클로로-1,4-벤조퀴논 메틸3,5-디클로로-4-메톡시벤조에이트

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

연결된 노트

불러오는 중…

3,5-Dichloro-4-hydroxybenzoic acid

기본 정보

개요