Chemical Properties of 4'-Bromo-2'-nitroacetanilide (CAS 881-50-5)

4'-Bromo-2'-nitroacetanilide

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InChI
InChI=1S/C8H7BrN2O3/c1-5(12)10-7-3-2-6(9)4-8(7)11(13)14/h2-4H,1H3,(H,10,12)
InChI Key
GUBNCRISSRANNO-UHFFFAOYSA-N
Formula
C8H7BrN2O3
SMILES
CC(=O)Nc1ccc(Br)cc1[N+](=O)[O-]
Molecular Weight1
259.06
CAS
881-50-5
Other Names
  • 4-Bromo-2-nitroacetanilide
  • Acetamide, N-(4-bromo-2-nitrophenyl)-
Sources

Physical Properties

Property Value Unit Source
Δf 119.97 kJ/mol Joback Calculated Property
Δfgas -38.40 kJ/mol Joback Calculated Property
Δfus 33.08 kJ/mol Joback Calculated Property
Δvap 73.21 kJ/mol Joback Calculated Property
logPoct/wat 2.32 Crippen Calculated Property
Pc 4283.05 kPa Joback Calculated Property
Tboil 741.12 K Joback Calculated Property
Tc 1000.96 K Joback Calculated Property
Tfus 537.38 K Joback Calculated Property
Vc 0.56 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 345.90 J/mol×K 741.12 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>C=O (nonring) 1
=CH- (ring) 3
-NO2 1
=C< (ring) 3
>NH 1
-CH3 1
-Br 1

Similar Compounds

Acetamide, N-(2-nitrophenyl)-. Carbamic acid, 4-bromo-2-nitrophenyl, ethyl ester. 2,4-Dinitro acetanilide. 4'-Fluoro-2'-nitroacetanilide. Acetamide, n-(4-methoxy-2-nitrophenyl)-. 4-Ethoxy-2-nitro acetanilide. 2,4-Difluoro-6-nitroacetanilide. 2',4'-Dinitro-5'-fluoroacetanilide. O-nitro carbanilic acid, methyl ester. Acetamide, n,n'-(4,6-difluoro-2-nitro-m-phenylene)bis-. O-nitro carbanilic acid, ethyl ester. Benzenamine, N-methyl-2-nitro-. 2,2,3-Trichloro-n-(4-chloro-2-nitrophenyl)propanamide. 2-Nitro-3,4,6-trifluoroacetanilide. O-nitro carbanilic acid, n-pentyl ester.

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