2-Amino-3,5-dibromobenzonitrile

C₇H₄Br₂N₂CAS 68385-95-5275.93 g/mol

Open in Covalent MOL file

Aryl halide Nitrile Primary amine

Properties

Molecular formula: C₇H₄Br₂N₂
Molar mass: 275.93 g/mol
Exact mass: 273.8741 Da
logP: 2.67Crippen estimate
Polar surface area: 49.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed50% of notifiers
H302 Harmful if swallowed50% of notifiers
H311 Toxic in contact with skin50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H331 Toxic if inhaled50% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

68385-95-5

SMILES

C1=C(C=C(C(=C1C#N)N)Br)Br

InChIKey

WLZCMGXAEXFAQA-UHFFFAOYSA-N

InChI

InChI=1S/C7H4Br2N2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-2H,11H2

Weigh it out

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

Work with 2-Amino-3,5-dibromobenzonitrile

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 2-Amino-3-bromobenzonitrile114344-60-456 % similar 2-Amino-3-bromo-5-nitrobenzonitrile17601-94-454 % similar 2-Amino-5-bromobenzonitrile39263-32-650 % similar 2,4-Dibromo-6-fluoroaniline141474-37-548 % similar 2,4-Dibromo-6-chloroaniline874-18-048 % similar 2-Amino-5-bromopyridine-3-carbonitrile709652-82-447 % similar 4-Bromophthalonitrile70484-01-447 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,4-Dibromo-7-azaindole1000340-33-9 6,8-Dibromoimidazo[1,2-A]pyridine1202450-63-2

Elsewhere

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