CAS 33697-81-3 3-Chloro-4-hydroxyphenylacetic acid (HCID 118534)

개요

(3-chloro-4-hydroxyphenyl)acetic acid is a hydroxy monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a 3-chloro-4-hydroxyphenyl group. It is a major chlorinated metabolite of chlorotyrosine. It has a role as a mammalian metabolite. It is a member of phenols, a hydroxy monocarboxylic acid and a member of monochlorobenzenes. It is functionally related to an acetic acid.

이름 및 식별자

우선 이름: 3-Chloro-4-hydroxyphenylacetic acid
IUPAC: 2-(3-chloro-4-hydroxyphenyl)acetic acid
영어명: 3-Chloro-4-hydroxyphenylacetic acid
분자식: C8H7ClO3
분자량: 186.59

이름 및 동의어

3-Chloro-4-hydroxyphenylacetic acid33697-81-3(3-Chloro-4-hydroxyphenyl)acetic acid3-Chloro-4-hydroxybenzeneacetic acidCHEBI:47106DTXSID60187381RefChem:499987DTXCID70109872251-643-02-(3-chloro-4-hydroxyphenyl)acetic acid4-HcpaBenzeneacetic acid, 3-chloro-4-hydroxy-

이름 더 보기

vufb9649oro-4-hydroxyphenyLChloro hydroxyphenylacetic acid4-(Carboxymethyl)-2-chlorophenol4-hydroxy-3-chlorophenylaceticacidm-chloro-p-hydroxyphenylacetic acid3-chloro-4-hydroxy-benzeneaceticaci3-chloro-4-hydroxybenzeneaceticacid

4-Hydroxy-3-chlorophenylacetic acidMFCD00004349Acetic acid, (3-chloro-4-hydroxyphenyl)-Kyselina 3-chlor-4-hydroxyfenyloctova2-(3-chloro-4-hydroxy-phenyl)acetic acidCHEMBL5920103-Chloro-4-hydroxyphenyl acetic acid3C4

데이터베이스 식별자

CAS: 33697-81-3
PubChem CID: 118534
DTXSID: DTXSID60187381
ChEMBL: CHEMBL592010
ChEBI: CHEBI:47106
EC Number: 251-643-0
Nikkaji: J47.610B

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 57.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 172

물리화학적 성질

녹는점: 108 · 108-110 °C(lit.)
끓는 점: 140 · 140-160 °C(Press: 0.05 Torr)
밀도: 1.466 · 1.466±0.06 g/cm3(Predicted)
산도 계수 (pKa): 4.33 · 4.33±0.10(Predicted)
물리적 상태: powder to crystal
색상: 흰색에서 회색, 갈색까지
InChI: 1S/C8H7ClO3/c9-6-3-5(4-8(11)12)1-2-7(6)10/h1-3,10H,4H2,(H,11,12)
InChIKey: IYTUKSIOQKTZEG-UHFFFAOYSA-N
SMILES: OC(=O)Cc1ccc(O)c(Cl)c1

화학적 성질

Orange to tan 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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 2
rtecs: CY1576300
HS 번호: 29182900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39-36
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도3-Chloro-4-hydroxyphenylacetic Acid is a phytohormone responsible for the inhibition of auxin influx.

일반 설명3-Chloro-4-hydroxyphenylacetic acid is an auxin influx inhibitor. It is one of the major chlorinated metabolite of chlorotyrosine.

상·하류 제품 정보

상류 원료

하류 제품

메틸3-클로로-4-하이드록시페닐아세테이트

공급사93 곳

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

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

上海策嵘生物科技有限公司[email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

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

추가 설명

정의ChEBI: A hydroxy monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a 3-chloro-4-hydroxyphenyl group. It is a major chlorinated metabolite of chlorotyrosine.