Chemical Properties of 2-Bromo-3'-nitroacetophenone (CAS 2227-64-7)

2-Bromo-3'-nitroacetophenone

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InChI
InChI=1S/C8H6BrNO3/c9-5-8(11)6-2-1-3-7(4-6)10(12)13/h1-4H,5H2
InChI Key
GZHPNIQBPGUSSX-UHFFFAOYSA-N
Formula
C8H6BrNO3
SMILES
O=C(CBr)c1cccc([N+](=O)[O-])c1
Molecular Weight1
244.04
CAS
2227-64-7
Other Names
  • 2-Bromo-1-(3-nitrophenyl)ethan-1-one
  • 2-Bromo-1-(3-nitrophenyl)ethanone
  • 3-Nitrophenacyl bromide
  • Acetophenone, 2-bromo-3'-nitro-
  • Ethanone, 2-bromo-1-(3-nitrophenyl)-
  • m-Nitrophenacyl bromide
  • «alpha»-Bromo-3-nitroacetophenone
  • «alpha»-Bromo-m-nitroacetophenone
  • «omega»-Bromo-m-nitroacetophenone
Sources

Physical Properties

Property Value Unit Source
Δf 40.21 kJ/mol Joback Calculated Property
Δfgas -80.40 kJ/mol Joback Calculated Property
Δfus 28.37 kJ/mol Joback Calculated Property
Δvap 66.11 kJ/mol Joback Calculated Property
logPoct/wat 2.17 Crippen Calculated Property
Pc 4294.29 kPa Joback Calculated Property
Tboil 685.97 K Joback Calculated Property
Tc 949.53 K Joback Calculated Property
Tfus 472.20 K Joback Calculated Property
Vc 0.53 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 304.59 J/mol×K 685.97 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=CH- (ring) 4
-NO2 1
=C< (ring) 2
-CH2- 1
>C=O (nonring) 1
-Br 1

Similar Compounds

3-Nitroacetophenone. 3-Nitrobenzeneacetyl chloride. Bis-(m,m'-nitrobenzil). Ethanone, 1-(4-hydroxy-3-nitrophenyl)-. 4-Bromo-3'-nitroacetophenone. 1-Ethyl-3-nitrobenzene. Benzaldehyde, 3-nitro-. Benzeneacetonitrile, 3-nitro-. 1-tert-Butyl-3-nitrobenzene. Benzeneethanol, 3-nitro-. 4'-Methoxy-3'-nitroacetophenone. 3-Nitro-4-methylbenzaldehyde. p-Nitrophenacyl bromide. Formic acid, 2-(3-nitrophenyl)ethyl ester. Benzamide, 3-nitro-.

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