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79406-57-8

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79406-57-8 Structure

79406-57-8 Structure
IdentificationBack Directory
[Name]

1-(3-AMINO-4-CHLOROPHENYL)ETHAN-1-ONE
[CAS]

79406-57-8
[Synonyms]

3'-Amino-4'-chloroacetophenone
1-(3-AMINO-4-CHLOROPHENYL)ETHANONE
1-(3-AMINO-4-CHLOROPHENYL)ETHAN-1-ONE
JR-14065, 1-(3-Amino-4-chlorophenyl)ethanone, 96%
1-(3-Amino-4-chlorophenyl)ethan-1-one, 1-(3-Amino-4-chlorophenyl)-1-oxoethane, 5-Acetyl-2-chloroaniline
[Molecular Formula]

C8H8ClNO
[MDL Number]

MFCD00122619
[MOL File]

79406-57-8.mol
[Molecular Weight]

169.61
Chemical PropertiesBack Directory
[Melting point ]

107 °C
[Boiling point ]

322.4±22.0 °C(Predicted)
[density ]

1.254±0.06 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2–8 °C
[form ]

powder to crystal
[pka]

1.47±0.10(Predicted)
[color ]

White to Light yellow to Light orange
[InChI]

1S/C8H8ClNO/c1-5(11)6-2-3-7(9)8(10)4-6/h2-4H,10H2,1H3
[InChIKey]

CELXPDXOZXEXJX-UHFFFAOYSA-N
[SMILES]

CC(=O)c1ccc(Cl)c(N)c1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319
[Precautionary statements ]

P261-P305+P351+P338
[WGK Germany ]

3
[HS Code ]

2922390090
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

1-(3-amino-4-chlorophenyl)ethan-1-one is a useful reactant for the synthesis of 2-thiazolidinones as BRD4 inhibitors.
Spectrum DetailBack Directory
[Spectrum Detail]

1-(3-AMINO-4-CHLOROPHENYL)ETHAN-1-ONE(79406-57-8)1HNMR
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