3,4-Dibromobenzenamine

C₆H₅Br₂NCAS 615-55-4250.92 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₅Br₂N
Molar mass: 250.92 g/mol
Exact mass: 248.8789 Da
Melting point: 221 °C
logP: 2.79Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

615-55-4

SMILES

Nc1ccc(Br)c(Br)c1

InChIKey

QFTJOYLPELHHCO-UHFFFAOYSA-N

InChI

InChI=1S/C6H5Br2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2

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

Names and synonyms

3 names

Benzenamine, 3,4-dibromo-
Aniline, 3,4-dibromo-
3,4-Dibromoaniline

Work with 3,4-Dibromobenzenamine

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

4-Amino-2-bromophenol16750-67-760 % similar 4-Bromo-3-chloroaniline21402-26-660 % similar 3-Bromo-4-fluorobenzenamine656-64-460 % similar 4-Bromo-3-methylaniline6933-10-460 % similar 3-Bromo-4-methylaniline7745-91-760 % similar 4-Bromo-3-(trifluoromethyl)aniline393-36-254 % similar 1,2,4,5-Tetrabromobenzene636-28-250 % similar 4-Bromo-3-ethoxybenzenamine125756-95-848 % similar

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

Same formula

2,5-Dibromo-3-methylpyridine3430-18-0 3,5-Dibromo-4-methylpyridine3430-23-7 2,5-Dibromo-4-methylpyridine3430-26-0 2,5-Dibromoaniline3638-73-1 2,6-Dibromoaniline608-30-0 2,4-Dibromoaniline615-57-6

Elsewhere

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