CAS 351-04-2 2-chloro-N-(4-fluorophenyl)acetamide (HCID 532065)

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Basic information

CAS: 351-04-2
Standard SMILES: O=C(CCl)Nc1ccc(F)cc1
InChIKey: JDAWWCJBFPBHFL-UHFFFAOYSA-N
Molecular formula: C8H7ClFNO
Average molar mass: 187.6 g/mol
Monoisotopic mass: 187.02001974

Names & identifiers

Preferred name: 2-chloro-N-(4-fluorophenyl)acetamide
IUPAC: 2-chloro-N-(4-fluorophenyl)acetamide
English name: N-(CHLOROACETYL)-4-FLUOROANILINE
Molecular formula: C8H7ClFNO
Molecular weight: 187.6

Names & synonyms

2-chloro-N-(4-fluorophenyl)acetamide351-04-2DTXSID70336303RefChem:86417DTXCID80287392668-523-2N-(Chloroacetyl)-4-fluoroaniline2-chloro-4'-fluoroacetanilideMFCD00015730n-chloroacetyl-4-fluoroaniline2-chloro-n-(4-fluoro-phenyl)-acetamideAcetamide, N-(4-fluorophenyl)-2-chloro-

Show more names

AKOS B015616AKOS BBS-00000830AKOS USSH-4110467BUTTPARK 30\07-58ART-CHEM-BB B015616TIMTEC-BB SBB002113

Alpha-Chloro-4-FluoroacetanilideN-(4-fluorophenyl)-2-chloroacetamideAlpha-Chloro-4-FluoroacSCHEMBL1193345CHEMBL3334596ALBB-002247SBB002113STK117118

Database identifiers

CAS: 351-04-2
PubChem CID: 532065
DTXSID: DTXSID70336303
ChEMBL: CHEMBL3334596
EC Number: 668-523-2
Nikkaji: J1.589.939E

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 157

Physicochemical properties

Melting point: 131 °C · 131 °C
Boiling point: 336.226 · 336.226±27.00 °C(Press: 760.00 Torr)(predicted)
Density: 1.358 · 1.358
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: Powder
pka: 11.877 · 11.877±0.70(predicted)
Appearance: Off-white to gray Solid
CAS DataBase Reference: 351 · 351-04-2(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (13.6%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.