(4-Chloro-3-fluorophenyl)methanamine

C₇H₇ClFNCAS 72235-58-6159.59 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

H302 Harmful if swallowed14.3% of notifiers
H312 Harmful in contact with skin14.3% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage14.3% of notifiers
H332 Harmful if inhaled14.3% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, P501

Identifiers

CAS number

72235-58-6

SMILES

C1=CC(=C(C=C1CN)F)Cl

InChIKey

HSNPBYKCCNMQNA-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

4-Chloro-3-fluorobenzylamine

Work with (4-Chloro-3-fluorophenyl)methanamine

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

3,4-Dichlorobenzenemethanamine102-49-864 % similar 3,4-Difluorobenzylamine72235-53-164 % similar 3-Fluoro-4-chlorobenzyl chloride160658-68-463 % similar 4-(Bromomethyl)-1-chloro-2-fluorobenzene206362-80-361 % similar 3-Fluoro-4-methylbenzenemethanamine261951-67-156 % similar (4-Chloro-3-fluoro-phenyl)-acetonitrile251570-03-356 % similar 4-Chloro-3-(trifluoromethyl)benzylamine62039-92-356 % similar 3-Fluoro-4-(trifluoromethyl)benzylamine235106-09-953 % 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-2-fluorobenzenemethanamine72235-55-3 3-Chloro-4-fluorobenzylamine72235-56-4 4-Chloro-2-fluorobenzylamine72235-57-5

Elsewhere

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