2-Amino-3,5-dibromobenzaldehyde

C₇H₅Br₂NOCAS 50910-55-9278.93 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Primary amine

Properties

Molecular formula: C₇H₅Br₂NO
Molar mass: 278.93 g/mol
Exact mass: 276.8738 Da
Melting point: 110 °C
logP: 2.61Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed14.3% of notifiers
H319 Causes serious eye irritation85.7% of notifiers

Aggregated from 63 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number

50910-55-9

SMILES

Nc1c(Br)cc(Br)cc1C=O

InChIKey

RCPAZWISSAVDEA-UHFFFAOYSA-N

InChI

InChI=1S/C7H5Br2NO/c8-5-1-4(3-11)7(10)6(9)2-5/h1-3H,10H2

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

Names and synonyms

2 names

Benzaldehyde, 2-amino-3,5-dibromo-
3,5-Dibromo-2-aminobenzaldehyde

Work with 2-Amino-3,5-dibromobenzaldehyde

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

2,4,6-Tribromoaniline147-82-059 % similar 3,5-Dibromosalicylaldehyde90-59-558 % similar 2,5-Dibromobenzaldehyde74553-29-053 % similar 2-Amino-5-bromobenzaldehyde29124-57-050 % similar 2,4-Dibromo-6-fluoroaniline141474-37-548 % similar 2,4-Dibromo-6-chloroaniline874-18-048 % similar 2,5-Dibromo-1,4-benzenedicarboxaldehyde63525-48-448 % similar 2-Amino-4-bromobenzaldehyde59278-65-846 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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