3-Chloro-2-fluorobenzenemethanamine

C₇H₇ClFNCAS 72235-55-3159.59 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₇H₇ClFN
Molar mass: 159.59 g/mol
Exact mass: 159.0251 Da
logP: 1.94Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed72% of notifiers
H302 Harmful if swallowed72% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage76% of notifiers

Aggregated from 25 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P270, P280, P301+P316, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, P501

Identifiers

CAS number

72235-55-3

SMILES

NCc1cccc(Cl)c1F

InChIKey

LYKWZKBLNOCJMA-UHFFFAOYSA-N

InChI

InChI=1S/C7H7ClFN/c8-6-3-1-2-5(4-10)7(6)9/h1-3H,4,10H2

Weigh it out

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

Names and synonyms

3 names

Benzenemethanamine, 3-chloro-2-fluoro-
3-Chloro-2-fluorobenzylamine
(3-Chloro-2-fluorophenyl)methanamine

Work with 3-Chloro-2-fluorobenzenemethanamine

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-Chlorobenzylamine89-97-463 % similar 2,3-Difluorobenzylamine72235-51-962 % similar 3-Chloro-2-fluorobenzyl bromide85070-47-960 % similar 2,3-Dichlorobenzylamine39226-95-459 % similar 1,3-Dichloro-2-fluorobenzene2268-05-556 % similar 2-Fluoro-3-(trifluoromethyl)benzylamine239135-49-055 % similar 2-(3-Chloro-2-fluorophenyl)acetonitrile261762-98-555 % similar 3-Chloro-2,6-difluorobenzylamine261762-46-352 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-4-fluoro-5-methylaniline124185-35-9 2-Chloro-4-fluorobenzylamine15205-11-5 2-Chloro-6-fluorobenzenemethanamine15205-15-9 1-(2-Chloro-5-fluorophenyl)methanamine202522-23-4 5-Chloro-2-fluorobenzylamine261723-26-6 3-Chloro-4-fluorobenzylamine72235-56-4 4-Chloro-2-fluorobenzylamine72235-57-5 (4-Chloro-3-fluorophenyl)methanamine72235-58-6

Elsewhere

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