4-Chloro-2-fluorobenzylamine

C₇H₇ClFNCAS 72235-57-5159.59 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

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

72235-57-5

SMILES

C1=CC(=C(C=C1Cl)F)CN

InChIKey

ODMMHGMIZYLHNN-UHFFFAOYSA-N

InChI

InChI=1S/C7H7ClFN/c8-6-2-1-5(4-10)7(9)3-6/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-2-fluorobenzyl amine

Work with 4-Chloro-2-fluorobenzylamine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(4-Chloro-2-fluorobenzyl)amine hydrochloride202982-63-6Salt

Similar compounds

4-Chloro-2-fluorobenzyl chloride87417-71-863 % similar 4-Chloro-2-fluorobenzenemethanol56456-49-661 % similar 4-Chloro-2-fluorobenzyl bromide71916-82-061 % similar 2,4-Difluorobenzylamine72235-52-060 % similar 2,4-Dichlorobenzenemethanamine95-00-160 % similar 4-Bromo-2-fluorobenzenemethanamine112734-22-256 % similar 4-Chloro-2-fluorobenzeneacetonitrile75279-53-756 % similar 4-Chloro-2-(trifluoromethyl)benzylamine771583-81-456 % 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-3-fluorophenyl)methanamine72235-58-6

Elsewhere

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