2-클로로-3',4'-디하이드록시아세토페논

2-Chloro-3',4'-dihydroxyacetophenone

HCID 66834CAS 99-40-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(CCl)c1ccc(O)c(O)c1
InChIKey: LWTJEJCZJFZKEL-UHFFFAOYSA-N
분자식: C8H7ClO3
평균 분자량: 186.59 g/mol
단동위원소 질량: 186.00837176

개요

2-chloro-3',4'-dihydroxyacetophenone is a member of acetophenones, an alpha-chloroketone and an aromatic ketone.

이름 및 식별자

우선 이름: 2-Chloro-3',4'-dihydroxyacetophenone
IUPAC: 2-chloro-1-(3,4-dihydroxyphenyl)ethanone
현지명: 2-클로로-3',4'-디하이드록시아세토페논
영어명: 2-Chloro-3',4'-dihydroxyacetophenone
분자식: C8H7ClO3
분자량: 186.59

이름 및 동의어

2-Chloro-1-(3,4-dihydroxyphenyl)ethanone2-Chloro-3',4'-dihydroxyacetophenone4-(Chloroacetyl)catecholUNII-FN6949L56Qchloromethyl 3,4-dihydroxyphenyl ketoneFN6949L56QEINECS 202-754-8NSC-13905NSC-17869.alpha.-Chloro-3,4-dihydroxyacetophenoneAI3-25258CHEBI:51844

이름 더 보기

2-클로로-3',4'-디하이드록시아세토페논2-Chloro-3'ChloracetylcatecholChloroaceto catecholChloroacetylcatechol2-Chloro-3',4'-dihydChloraoetyl CatecholP-CHLOROACETYLCATECHOL4-(CHLORACETAL)CATECHOL4-(CHLOROACETO)CATECHOLCHLOROACETOPYROCATECHOL

DTXSID90243929NSC 13905NSC 17869acetophenone, alpha-chloro-3,4-dihydroxy-1-CHLOROACETYL-3,4-DIHYDROXYBENZENEACETOPHENONE, .ALPHA.-CHLORO-3,4-DIHYDROXY-2-CHLORO-1-(3,4-DIHYDROXYPHENYL)-1-ETHANONENORADRENALINE TARTRATE IMPURITY E [EP IMPURITY]

데이터베이스 식별자

CAS: 99-40-1
PubChem CID: 66834
DTXSID: DTXSID90243929
ChEMBL: CHEMBL105609
ChEBI: CHEBI:51844
UNII: FN6949L56Q
EC Number: 202-754-8
Nikkaji: J31.108A

물성

구조 계산 물성

XLogP: 2.1
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

실험 및 물리화학적 성질

Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

녹는점: 174 · 174-176 °C(lit.)
끓는 점: 418.7 · 418.7±35.0 °C(Predicted)
밀도: 1.444 · 1.444±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: DMSO, 메탄올에 용해됩니다.
산도 계수 (pKa): 7.59 · 7.59±0.20(Predicted)
물리적 상태: powder
색상: 흰색에서 옅은 베이지까지
BRN: 2092660 · 2092660
InChI: InChI=1S/C8H7ClO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,10-11H,4H2
InChIKey: LWTJEJCZJFZKEL-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC=C(O)C(O)=C1)CCl

화학적 성질

Off-White Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (12.5%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 64 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 09-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/17993

Hazard Classes and CategoriesAcute Tox. 3 (12.5%)

안전 데이터

wgk: 3
HS 번호: 29252900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도2-Chloro-3',4'-dihydroxyacetophenone is used as a styptic adrenobazone, quasi adrenaline drug gasp spirit of intermediates.

상·하류 제품 정보

상류 원료

하류 제품

아드레날론 다이피베프라인 1-(3,4-dihydroxyphenyl)-2-[(1-methylethyl)amino] hydrochloride 1,2-Benzenediol, 4-(2-chloroethyl)-Methenamine Related Compound 1 티오시안산,2-(3,4-디히드록시페닐)-2-옥소에틸에스테르(9CI)1,2-Benzenediol,4-(2-amino-4-thiazolyl)-(9CI)

공급사50 곳

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

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

仙桃市丽昭医药科技有限公司18571672902 · [email protected]

阿法埃莎（中国）化学有限公司400-6106006 · [email protected]

安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

연결된 노트

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