2-Chloro-4-fluoro-5-methylaniline

C₇H₇ClFNCAS 124185-35-9159.59 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: 2.37Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed97.6% of notifiers
H312 Harmful in contact with skin97.6% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled97.6% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

124185-35-9

SMILES

Cc1cc(N)c(Cl)cc1F

InChIKey

OXINUINVVAJJSE-UHFFFAOYSA-N

InChI

InChI=1S/C7H7ClFN/c1-4-2-7(10)5(8)3-6(4)9/h2-3H,10H2,1H3

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Names and synonyms

2 names

Benzenamine, 2-chloro-4-fluoro-5-methyl-
2-Chloro-4-fluoro-5-methylbenzenamine

Work with 2-Chloro-4-fluoro-5-methylaniline

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-Chloro-4,5-difluoroaniline2613-32-367 % similar 2-Chloro-5-methyl-1,4-benzenediamine5307-03-964 % similar 2,4-Dichloro-5-fluoroaniline348-64-159 % similar 1-Bromo-2-chloro-4-fluoro-5-methylbenzene201849-18-556 % similar 4-Chloro-5-methylbenzene-1,2-diamine63155-04-455 % similar 1-Bromo-2-chloro-5-fluoro-4-methylbenzene201849-17-452 % similar 2-Bromo-5-fluoro-4-methylaniline202865-78-952 % similar 4-Chloro-5-fluoro-O-phenylenediamine139512-70-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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 (4-Chloro-3-fluorophenyl)methanamine72235-58-6

Elsewhere

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