クロロアセトフェノン

1-(3-Chlorophenyl)ethanone

HCID 14933CAS 1341-24-8

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(=O)c1cccc(Cl)c1
InChIKey: UUWJBXKHMMQDED-UHFFFAOYSA-N
分子式: C8H7ClO
平均分子量: 154.59 g/mol
単同位体質量: 154.01854252

名称と識別子

優先名称: 1-(3-Chlorophenyl)ethanone
IUPAC: 1-(3-chlorophenyl)ethanone
現地名: クロロアセトフェノン
英語名: 3’-Chloroacetophenone
分子式: C8H7ClO
分子量: 154.595

名称と別名

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

名称をさらに表示

クロロアセトフェノン催涙スプレー催涙ガスEthanone, 1-phenyl-,Monochloro deriv. (9CI)

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

データベース識別子

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

物性

構造計算による物性

XLogP: 2.5
極性表面積: 17.1 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 133

実験および物理化学的性質

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

LogP2.43

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

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%)

化学と産業

薬理情報

MeSH Pharmacological Classification · 2 件

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.