1-Chloro-3-(4-fluorophenyl)propan-2-one

HCID 13558293

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Basic information

CAS: 303967-88-6
Standard SMILES: O=C(CCl)Cc1ccc(F)cc1
InChIKey: JFXDUAWJIMUJQN-UHFFFAOYSA-N
Molecular formula: C9H8ClFO
Average molar mass: 186.61 g/mol

Names & identifiers

Preferred name: 1-Chloro-3-(4-fluorophenyl)propan-2-one
IUPAC: 1-chloro-3-(4-fluorophenyl)propan-2-one
English name: 2-Propanone, 1-chloro-3-(4-fluorophenyl)-
Molecular formula: C9H8ClFO
Molecular weight: 186.61

Names & synonyms

1-chloro-3-(4-fluorophenyl)propan-2-one303967-88-6RefChem:431293967-793-12-Propanone, 1-chloro-3-(4-fluorophenyl)-MFCD000414491-chloro-3-(4-fluorophenyl)acetone3-Chloro-1-(4-fluorophenyl)propanoneSCHEMBL1151049JFXDUAWJIMUJQN-UHFFFAOYSA-NDMA96788AKOS000174181

Show more names

EOS-61010

SY1789781-chloro-3-(4-fluoro-phenyl)-propan-2-oneEN300-39939F400815Z316174768

Database identifiers

CAS: 303967-88-6
PubChem CID: 13558293
EC Number: 967-793-1
Nikkaji: J3.375.680A

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 153

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.