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

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation10.9% of notifiers
H319 Causes serious eye irritation10.9% of notifiers
H332 Harmful if inhaled100% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P501

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 2,4-Dibromo-6-nitroaniline827-23-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook