1-(3-Chlorophenyl)ethanone

HCID 14933CAS 1341-24-8

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Basic information

Standard SMILES: CC(=O)c1cccc(Cl)c1
InChIKey: UUWJBXKHMMQDED-UHFFFAOYSA-N
Molecular formula: C8H7ClO
Average molar mass: 154.59 g/mol
Monoisotopic mass: 154.01854252

Names & identifiers

Preferred name: 1-(3-Chlorophenyl)ethanone
IUPAC: 1-(3-chlorophenyl)ethanone
English name: 3’-Chloroacetophenone
Molecular formula: C8H7ClO
Molecular weight: 154.595

Names & synonyms

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

Show more names

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

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 133

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

LogP2.43

Safety & regulation

GHS classification

GHS Classification · 4 items

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.

Hazard information

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%)

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 2 items

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.