3-Fluoro-4-methylaniline

C₇H₈FNCAS 452-77-7125.15 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: 32 °C
Boiling point: 200–205 °C
logP: 1.72Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H300 Fatal if swallowed83.7% of notifiers
H302 Harmful if swallowed10.2% of notifiers
H312 Harmful in contact with skin93.9% of notifiers
H315 Causes skin irritation91.8% of notifiers
H319 Causes serious eye irritation91.8% of notifiers
H332 Harmful if inhaled93.9% of notifiers
H335 May cause respiratory irritation87.8% 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, P264, P264+P265, P270, P271, P280, P301+P316, 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

452-77-7

SMILES

Cc1ccc(N)cc1F

InChIKey

MGRHBBRSAFPBIN-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

9 names

Benzenamine, 3-fluoro-4-methyl-
p-Toluidine, 3-fluoro-
3-Fluoro-4-methylbenzenamine
4-Amino-2-fluorotoluene
2-Fluoro-4-aminotoluene
3-Fluoro-p-toluidine
NSC 57470
(3-Fluoro-4-methylphenyl)amine
4-Methyl-3-fluoroaniline

Work with 3-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Fluoro-3-methylaniline452-69-769 % similar 3,4-Difluoroaniline3863-11-460 % similar 3,4-Xylidine95-64-760 % similar 3-Fluoro-4-iodoaniline656-66-657 % similar 2,4-Difluoro-1-methylbenzene452-76-656 % similar 2,4-Diaminotoluene95-80-756 % similar 3-Iodo-4-methylbenzenamine35944-64-054 % similar 2-Fluoro-4-iodo-1-methylbenzene39998-81-754 % 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

PubChem CAS Common Chemistry NIST WebBook