2-Amino-3,5-dichlorobenzonitrile

C₇H₄Cl₂N₂CAS 36764-94-0187.02 g/mol

Open in Covalent MOL file

Aryl halide Nitrile Primary amine

Properties

Molecular formula: C₇H₄Cl₂N₂
Molar mass: 187.02 g/mol
Exact mass: 185.9752 Da
logP: 2.45Crippen estimate
Polar surface area: 49.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed95.2% of notifiers
H317 May cause an allergic skin reaction92.9% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

36764-94-0

SMILES

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

InChIKey

ZHKNDJRPOVUPMT-UHFFFAOYSA-N

InChI

InChI=1S/C7H4Cl2N2/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-dichlorobenzonitrile

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-Amino-3-chlorobenzonitrile53312-77-961 % similar 2,4,6-Trichloroaniline634-93-559 % similar 2-Amino-3-chloro-5-nitrobenzonitrile20352-84-554 % similar 2,4,6-Trichlorobenzonitrile6575-05-953 % similar 2,5-Dichlorobenzonitrile21663-61-653 % similar 2,4-Dichlorobenzonitrile6574-98-753 % similar 2-Amino-5-chlorobenzonitrile5922-60-150 % similar 2,4-Dichloro-6-methylaniline30273-00-848 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4,6-Dichloro-1H-pyrrolo[2,3-b]pyridine5912-18-5 5,6-Dichlorobenzimidazole6478-73-5 4,6-Dichloro-1H-pyrrolo[3,2-c]pyridine67139-79-1 4-Amino-3,5-dichlorobenzonitrile78473-00-4 2,6-Dichloro-4-methyl-3-pyridinecarbonitrile875-35-4

Elsewhere

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