2,6-Dibromo-4-nitroaniline

C₆H₄Br₂N₂O₂CAS 827-94-1295.92 g/mol

Open in Covalent MOL file

Aryl halide Nitro Primary amine

Properties

Molecular formula: C₆H₄Br₂N₂O₂
Molar mass: 295.92 g/mol
Exact mass: 293.8640 Da
Melting point: 202.5 °C
Boiling point: 207 °C
logP: 2.70Crippen estimate
Polar surface area: 69.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

827-94-1

SMILES

Nc1c(Br)cc([N+](=O)[O-])cc1Br

InChIKey

YMZIFDLWYUSZCC-UHFFFAOYSA-N

InChI

InChI=1S/C6H4Br2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2

Weigh it out

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

Names and synonyms

6 names

Benzenamine, 2,6-dibromo-4-nitro-
Aniline, 2,6-dibromo-4-nitro-
2,6-Dibromo-4-nitrobenzenamine
2,6-Dibromo-p-nitroaniline
NSC 38765
2,6-Dibromo-4-nitro-phenylamine

Work with 2,6-Dibromo-4-nitroaniline

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

Similar compounds

2-Bromo-4,6-dinitroaniline1817-73-880 % similar 2-Bromo-6-chloro-4-nitroaniline99-29-677 % similar 2-Bromo-6-methyl-4-nitroaniline102170-56-975 % similar 2-Amino-3-bromo-5-nitrobenzonitrile17601-94-469 % similar 2,6-Dibromo-4-nitrophenol99-28-561 % similar 2-Bromo-4-nitrobenzenamine13296-94-161 % similar 2,4,6-Trinitroaniline489-98-560 % similar 2-Bromo-4-fluoro-6-nitroaniline10472-88-557 % similar

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

Same formula

Methyl 3,6-dibromopyrazine-2-carboxylate13301-04-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook