2,3-Dibromopropionitrile

C₃H₃Br₂NCAS 4554-16-9212.87 g/mol

Open in Covalent MOL file

Alkyl halide Nitrile

Properties

Molecular formula: C₃H₃Br₂N
Molar mass: 212.87 g/mol
Exact mass: 210.8632 Da
Density: 2.174 g/mL (at 20 °C)
Melting point: 131–132 °C
Boiling point: 106–107 °C (at 22 Torr)
logP: 1.67Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

4554-16-9

SMILES

N#CC(Br)CBr

InChIKey

ARRIEYYNOLTVTE-UHFFFAOYSA-N

InChI

InChI=1S/C3H3Br2N/c4-1-3(5)2-6/h3H,1H2

Weigh it out

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

Names and synonyms

5 names

Propanenitrile, 2,3-dibromo-
Propionitrile, 2,3-dibromo-
2,3-Dibromopropanenitrile
α,β-Dibromopropionitrile
2,3-Dibromopropanonitrile

Work with 2,3-Dibromopropionitrile

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

1,2,3,4-Tetrabromobutane1529-68-633 % similar 1,1,2-Tribromoethane78-74-033 % similar Cyclopropyl cyanide5500-21-032 % similar

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

Elsewhere

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