1-(3-Chlorophenyl)ethanone

HCID 14933CAS 1341-24-8

기본 정보

표준 SMILES: CC(=O)c1cccc(Cl)c1
InChIKey: UUWJBXKHMMQDED-UHFFFAOYSA-N
분자식: C8H7ClO
평균 분자량: 154.59 g/mol
단동위원소 질량: 154.01854252

이름 및 식별자

우선 이름: 1-(3-Chlorophenyl)ethanone
IUPAC: 1-(3-chlorophenyl)ethanone
영어명: 3’-Chloroacetophenone
분자식: C8H7ClO
분자량: 154.595

이름 및 동의어

3'-Chloroacetophenone99-02-51-(3-Chlorophenyl)ethanoneEthanone, 1-(3-chlorophenyl)-EZZ4YCH58KDTXSID8059182RefChem:484668DTXCID3049091202-721-8m-Chloroacetophenone1-(3-Chlorophenyl)ethan-1-one1341-24-8

이름 더 보기

Ethanone, 1-phenyl-,Monochloro deriv. (9CI)

3-chloroacetophenoneMFCD000005931-(3-chloro-phenyl)-ethanone1-acetyl-3-chlorobenzeneAcetophenone, 3'-chloro-3 inverted exclamation marka-ChloroacetophenoneChloroacetophenonesCCRIS 638

데이터베이스 식별자

CAS: 1341-24-8、99-02-5
PubChem CID: 14933
DTXSID: DTXSID8059182
UNII: EZZ4YCH58K
EC Number: 202-721-8
Nikkaji: J100.178G

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 133

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

LogP2.43

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (17.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, 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 52 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information3'-Chloroacetophenone: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (17.3%)

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 2건

Drugs that act locally on cutaneous or mucosal surfaces to produce inflammation; those that cause redness due to hyperemia are rubefacients; those that raise blisters are vesicants and those that penetrate sebaceous glands and cause abscesses are pustulants; tear gases and mustard gases are also irritants.

Gases that irritate the eyes, throat, or skin. Severe lacrimation develops upon irritation of the eyes.