chempirical

1-Bromo-4-nitrobenzene

C6H4BrNO2CAS 586-78-7202.01 g/mol

Open in Covalent MOL file
ON+O−Br
Aryl halideNitro

Properties

Molecular formula
C6H4BrNO2
Molar mass
202.01 g/mol
Exact mass
200.9425 Da
Melting point
127 °C
Boiling point
256 °C
logP
2.36Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
586-78-7
SMILES
O=[N+]([O-])c1ccc(Br)cc1
InChIKey
ZDFBKZUDCQQKAC-UHFFFAOYSA-N
InChI
InChI=1S/C6H4BrNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names
  • Benzene, 1-bromo-4-nitro-
  • p-Nitrobromobenzene
  • 4-Bromonitrobenzene
  • 4-Nitrobromobenzene
  • p-Bromonitrobenzene
  • p-Nitrophenyl bromide
  • 4-Nitrophenyl bromide
  • 4-Bromo-1-nitrobenzene
  • NSC 3526
  • 4-Nitro-1-bromobenzene
  • 1-Nitro-4-bromobenzene

Work with 1-Bromo-4-nitrobenzene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Same formula

3-Bromoisonicotinic acid13959-02-9 5-Bromonicotinic acid20826-04-4 1-Bromo-2-nitrobenzene577-19-5 1-Bromo-3-nitrobenzene585-79-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook