2-chloro-N,N-diphenyl-Acetamide

HCID 224481

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Basic information

CAS: 5428-43-3
Standard SMILES: O=C(CCl)N(c1ccccc1)c1ccccc1
InChIKey: GRIXINIGTYIHSN-UHFFFAOYSA-N
Molecular formula: C14H12ClNO
Average molar mass: 245.7 g/mol
Monoisotopic mass: 245.06074168

Names & identifiers

Preferred name: 2-chloro-N,N-diphenyl-Acetamide
IUPAC: 2-chloro-N,N-diphenylacetamide
English name: 2-CHLORO-N,N-DIPHENYLACETAMIDE
Molecular formula: C14H12ClNO
Molecular weight: 245.7

Names & synonyms

2-Chloro-N,N-diphenyl-acetamideRefChem:469831111-954-32-Chloro-N,N-diphenylacetamide5428-43-3Acetamide, 2-chloro-N,N-diphenyl-MFCD00435290N,N-Diphenyl-2-chloroacetamideNSC12965MLS000696542SCHEMBL2345303SKL836

Show more names

CHEMBL1603760N,N-diphenyl-2-chloro acetaMideDTXSID20279514AKOS B029095BUTTPARK 89\07-632-Chloro-N,N-diphenylacetamide #HMS2708M182-chloro-N,N-di(phenyl)ethanamide

Database identifiers

CAS: 5428-43-3
PubChem CID: 224481
DTXSID: DTXSID20279514
ChEMBL: CHEMBL1603760
EC Number: 111-954-3
Nikkaji: J1.384.971D

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 227

Physicochemical properties

Melting point: 119 · 119-121°
Boiling point: 441.6 · 441.6±28.0 °C(Predicted)
Density: 1.234 · 1.234±0.06 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
pka: -4.03 · -4.03±0.50(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H314
Precautionary statements: 201 · P201-P202-P261-P264-P270-P271-P280-P302+P352-P304+P340-P308+P313-P310-P330-P361-P403+P233-P405-P501
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, 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.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_class: IRRITANT
Hazard statements: H302-H314
Precautionary statements: P201-P202-P261-P264-P270-P271-P280-P302+P352-P304+P340-P308+P313-P310-P330-P361-P403+P233-P405-P501