2-Fluoro-4-methylaniline

C₇H₈FNCAS 452-80-2125.15 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: 1.1084 g/mL (at 18 °C)
Melting point: 3.2–3.5 °C
Boiling point: 70–71 °C (at 7 Torr)
logP: 1.72Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed89.6% of notifiers
H302 Harmful if swallowed10.4% of notifiers
H311 Toxic in contact with skin95.8% of notifiers
H315 Causes skin irritation97.9% of notifiers
H319 Causes serious eye irritation97.9% of notifiers
H331 Toxic if inhaled85.4% of notifiers
H332 Harmful if inhaled10.4% of notifiers
H335 May cause respiratory irritation85.4% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure10.4% 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+P316, 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

452-80-2

SMILES

Cc1ccc(N)c(F)c1

InChIKey

ZQEXBVHABAJPHJ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

8 names

Benzenamine, 2-fluoro-4-methyl-
p-Toluidine, 2-fluoro-
2-Fluoro-4-methylbenzenamine
2-Fluoro-p-toluidine
4-Amino-3-fluorotoluene
4-Methyl-2-fluoroaniline
(2-Fluoro-4-methylphenyl)amine
NSC 147489

Work with 2-Fluoro-4-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-Fluoro-5-methylaniline452-84-669 % similar 3,4-Difluorotoluene2927-34-660 % similar 3,4-Diaminotoluene496-72-060 % similar 2,4-Difluoroaniline367-25-956 % similar 2,4-Xylidine95-68-156 % similar 2-Chloro-4-methylaniline615-65-654 % similar 2-Fluoro-4-methylanisole399-55-353 % similar 2-Fluoro-4-methoxyaniline458-52-653 % 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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