5-Chloro-2-fluorobenzylamine

C₇H₇ClFNCAS 261723-26-6159.59 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

H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage12.5% of notifiers

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

261723-26-6

SMILES

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

InChIKey

BFLBLJKULFDOTN-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 5-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

Similar compounds

(4-Chloro-2-fluorobenzyl)amine hydrochloride202982-63-666 % similar 2-(Bromomethyl)-4-chloro-1-fluorobenzene71916-91-161 % similar 2,5-Dichlorobenzylamine10541-69-260 % similar 2,5-Difluorobenzenemethanamine85118-06-560 % similar 2,4-Dichlorobenzenemethanamine95-00-155 % similar 4-Chloro-1,2-difluorobenzene696-02-654 % similar 2-Fluoro-5-(trifluoromethyl)benzylamine199296-61-253 % similar 2,4,5-Trifluorobenzyl amine168644-93-752 % 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 2-Chloro-5-fluorobenzenemethanamine202522-23-4 3-Chloro-2-fluorobenzenemethanamine72235-55-3 3-Chloro-4-fluorobenzylamine72235-56-4 4-Chloro-2-fluorobenzylamine72235-57-5 (4-Chloro-3-fluorophenyl)methanamine72235-58-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook