4-Fluoro-2-methylaniline

C₇H₈FNCAS 452-71-1125.15 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
Density: 1.1263 g/mL (at 18 °C)
Melting point: 14.2 °C
Boiling point: 97 °C (at 20 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 swallowed98% of notifiers
H311 Toxic in contact with skin10.2% of notifiers
H312 Harmful in contact with skin89.8% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled98% of notifiers
H335 May cause respiratory irritation89.8% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure10.2% of notifiers

Aggregated from 49 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

452-71-1

SMILES

Cc1cc(F)ccc1N

InChIKey

KMHLGVTVACLEJE-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

11 names

Benzenamine, 4-fluoro-2-methyl-
o-Toluidine, 4-fluoro-
4-Fluoro-2-methylbenzenamine
2-Amino-5-fluorotoluene
6-Amino-3-fluorotoluene
2-Methyl-4-fluoroaniline
4-Fluoro-o-toluidine
NSC 88300
(4-Fluoro-2-methylphenyl)amine
2-Methyl-4-fluorophenylamine
4-Fluoro-2-methyl-1-aminobenzene

Work with 4-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

4-Fluoro-1,2-phenylenediamine367-31-760 % similar 4-Fluoro-1,2-dimethylbenzene452-64-260 % similar Tolidine119-93-758 % similar 4-Fluoro-2-iodoaniline61272-76-257 % similar 2,4-Difluoroaniline367-25-956 % similar 1,4-Difluoro-2-methylbenzene452-67-556 % similar 2,4-Xylidine95-68-156 % similar 2,5-Diaminotoluene95-70-556 % 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 3-Fluoro-2-methylaniline443-86-7 2-Fluoro-6-methylaniline443-89-0

Elsewhere

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