Chemical Properties of Benzene, 1-bromo-2-nitro- (CAS 577-19-5)

Benzene, 1-bromo-2-nitro-

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InChI
InChI=1S/C6H4BrNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H
InChI Key
ORPVVAKYSXQCJI-UHFFFAOYSA-N
Formula
C6H4BrNO2
SMILES
O=[N+]([O-])c1ccccc1Br
Molecular Weight1
202.01
CAS
577-19-5
Other Names
  • 1-Bromo-2-nitrobenzene
  • 2-Bromo-1-nitrobenzene
  • 2-Bromonitrobenzene
  • 2-Nitrobromobenzene
  • NSC 403836
  • o-Bromonitrobenzene
  • o-Nitrobromobenzene
  • o-Nitrophenyl bromide
Sources

Physical Properties

Property Value Unit Source
EA 1.16 ± 0.10 eV NIST
Δf 152.29 kJ/mol Joback Calculated Property
Δfgas 73.46 kJ/mol Joback Calculated Property
Δfus 21.59 kJ/mol Joback Calculated Property
Δsub 85.20 ± 0.30 kJ/mol NIST
Δvap 54.91 kJ/mol Joback Calculated Property
logPoct/wat 2.36 Crippen Calculated Property
Pc 5123.98 kPa Joback Calculated Property
Tboil 534.20 K NIST
Tc 856.92 K Joback Calculated Property
Tfus 310.00 ± 1.50 K NIST
Tfus 329.00 ± 2.00 K NIST
Vc 0.41 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 207.37 J/mol×K 586.34 Joback Calculated Property
ΔsubH 85.50 ± 0.30 kJ/mol 285.0 NIST

Molecular Descriptors

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

Similar Compounds

Benzene, 1,4-dibromo-2-nitro-. 4-Bromo-3-nitrotoluene. 1-Bromo-2,4-dinitrobenzene. Benzenamine, 2-bromo-4-nitro-. Benzene, 1-bromo-3-nitro-. Benzene, 1-bromo-4-nitro-. 4-Bromo-3-nitroanisole. Benzene, 1,2-dibromo-4-nitro-. Toluene, 4-bromo-3-nitro-alpha,alpha,alpha-trifluoro-. Benzene, nitro-. p-Nitroaniline. 4-Bromo-3'-nitroacetophenone. Benzene, 2-bromo-1-methyl-4-nitro-. Benzene, 1,4-dinitro-. 4-Bromo-3-nitrobenzene sulfonic acid.

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