2-Amino-5-bromobenzonitrile

C₇H₅BrN₂CAS 39263-32-6197.03 g/mol

Open in Covalent MOL file

Aryl halide Nitrile Primary amine

Properties

Molecular formula: C₇H₅BrN₂
Molar mass: 197.03 g/mol
Exact mass: 195.9636 Da
Melting point: 96–97 °C
logP: 1.90Crippen estimate
Polar surface area: 49.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed89.1% of notifiers
H312 Harmful in contact with skin89.1% of notifiers
H317 May cause an allergic skin reaction84.8% of notifiers
H332 Harmful if inhaled89.1% of notifiers

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

Precautionary statements

P261, P264, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P333+P317, P362+P364, P501

Identifiers

CAS number

39263-32-6

SMILES

N#Cc1cc(Br)ccc1N

InChIKey

OATYCBHROMXWJO-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BrN2/c8-6-1-2-7(10)5(3-6)4-9/h1-3H,10H2

Weigh it out

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

Names and synonyms

7 names

Benzonitrile, 2-amino-5-bromo-
Anthranilonitrile, 5-bromo-
5-Bromoanthranilonitrile
2-Cyano-4-bromoaniline
4-Bromo-2-cyanoaniline
NSC 263786
5-Bromo-2-aminobenzonitrile

Work with 2-Amino-5-bromobenzonitrile

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-Bromophthalonitrile70484-01-464 % similar 2,5-Diaminobenzonitrile14346-13-560 % similar 5-Bromo-2-iodobenzonitrile121554-10-756 % similar 5-Bromo-2-methylbenzonitrile156001-51-356 % similar 5-Bromo-2-fluorobenzonitrile179897-89-356 % similar 5-Bromo-2-hydroxybenzonitrile40530-18-556 % similar 5-Bromo-2-chlorobenzonitrile57381-44-956 % similar 2-Amino-5-chlorobenzonitrile5922-60-156 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromo-4-azaindole1000341-51-4 2-Bromo-5-cyano-4-picoline1003711-35-0 5-Bromopyrazolo[1,5-A]pyridine1060812-84-1 2-Amino-3-bromobenzonitrile114344-60-4 5-Bromo-1H-pyrrolo[2,3-c]pyridine1215387-58-8 6-Bromopyrazolo(1,5-a)pyridine1264193-11-4 6-Bromo-1H-pyrrolo[2,3-B]pyridine143468-13-7 5-Bromo-3-methylpyridine-2-carbonitrile156072-86-5

Elsewhere

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