chempirical

4-Nitrophenethyl bromide

C8H8BrNO2CAS 5339-26-4230.06 g/mol

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

Properties

Molecular formula
C8H8BrNO2
Molar mass
230.06 g/mol
Exact mass
228.9738 Da
Melting point
68 °C
Boiling point
112–120 °C (at 0.2 Torr)
logP
2.53Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
5339-26-4
SMILES
O=[N+]([O-])c1ccc(CCBr)cc1
InChIKey
NTURQZFFJDCTMZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H8BrNO2/c9-6-5-7-1-3-8(4-2-7)10(11)12/h1-4H,5-6H2

Weigh it out

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

Names and synonyms

12 names
  • Benzene, 1-(2-bromoethyl)-4-nitro-
  • 1-(2-Bromoethyl)-4-nitrobenzene
  • p-Nitrophenethyl bromide
  • 2-(4-Nitrophenyl)ethyl bromide
  • β-(p-Nitrophenyl)ethyl bromide
  • 4-(2-Bromoethyl)nitrobenzene
  • 2-(p-Nitrophenyl)ethyl bromide
  • 1-Bromo-2-(4-nitrophenyl)ethane
  • 2-(4-Nitrophenyl)-1-bromoethane
  • NSC 100730
  • NSC 3493
  • 4-(2-Bromoethyl)-1-nitrobenzene

Work with 4-Nitrophenethyl bromide

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(4-Nitrophenyl)ethanol100-27-661 % similar 1-Ethyl-4-nitrobenzene100-12-958 % similar 4-Nitrobenzyl chloride100-14-158 % similar 2-(4-Nitrophenyl)ethylamine hydrochloride29968-78-356 % similar 4,4′-Dinitro-1,1′-biphenyl1528-74-154 % similar 1-Bromo-4-nitrobenzene586-78-753 % similar 4-(4-Nitrobenzyl)pyridine1083-48-353 % similar p-Nitrobenzylamine hydrochloride18600-42-553 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Methyl 4-amino-3-bromobenzoate106896-49-5 2-Amino-3-bromo-5-methylbenzoic acid13091-43-5 Methyl 6-(bromomethyl)nicotinate131803-48-0 Methyl 2-amino-4-bromobenzoate135484-83-2 Methyl 2-amino-5-bromobenzoate52727-57-8 Methyl 2-bromo-6-methyl-4-pyridinecarboxylate884494-71-7

Elsewhere

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