3-Fluoro-2-methylaniline

C₇H₈FNCAS 443-86-7125.15 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₇H₈FN
Molar mass: 125.15 g/mol
Exact mass: 125.0641 Da
Melting point: 7 °C
Boiling point: 89.5–90.5 °C (at 15 Torr)
logP: 1.72Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed97.9% of notifiers
H311 Toxic in contact with skin10.4% of notifiers
H312 Harmful in contact with skin87.5% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled97.9% of notifiers
H335 May cause respiratory irritation85.4% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure12.5% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

443-86-7

SMILES

Cc1c(N)cccc1F

InChIKey

SLDLVGFPFFLYBM-UHFFFAOYSA-N

InChI

InChI=1S/C7H8FN/c1-5-6(8)3-2-4-7(5)9/h2-4H,9H2,1H3

Weigh it out

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

Names and synonyms

7 names

Benzenamine, 3-fluoro-2-methyl-
o-Toluidine, 3-fluoro-
3-Fluoro-2-methylbenzenamine
6-Amino-2-fluorotoluene
1-Amino-3-fluoro-2-methylbenzene
2-Methyl-3-fluoroaniline
(3-Fluoro-2-methylphenyl)amine

Work with 3-Fluoro-2-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

1,3-Difluoro-2-methylbenzene443-84-568 % similar 2,6-Diaminotoluene823-40-564 % similar 2-Fluoroaniline348-54-958 % similar 3-Fluoro-o-xylene443-82-358 % similar 2,3-Difluoroaniline4519-40-858 % similar 4-Fluoro-3-methylbenzene-1,2-diamine485832-95-957 % similar 1-Bromo-3-fluoro-2-methylbenzene1422-54-456 % similar 2-Chloro-3-fluorobenzenamine21397-08-056 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Fluorobenzylamine100-82-3 4-Fluorobenzylamine140-75-0 2-Fluoro-3-methylaniline1978-33-2 3-Fluoro-N-methylaniline1978-37-6 2-Fluoro-N-methylbenzenamine1978-38-7 5-Fluoro-2-methylaniline367-29-3 2-Fluoro-6-methylaniline443-89-0 4-Fluoro-3-methylaniline452-69-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook