4-Fluoro-3-methylbenzene-1,2-diamine

C₇H₉FN₂CAS 485832-95-9140.16 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₇H₉FN₂
Molar mass: 140.16 g/mol
Exact mass: 140.0750 Da
logP: 1.30Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

485832-95-9

SMILES

CC1=C(C=CC(=C1N)N)F

InChIKey

PSGAKWLMABPVAC-UHFFFAOYSA-N

InChI

InChI=1S/C7H9FN2/c1-4-5(8)2-3-6(9)7(4)10/h2-3H,9-10H2,1H3

Weigh it out

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

Names and synonyms

1 names

2,3-Diamino-6-fluorotoluene

Work with 4-Fluoro-3-methylbenzene-1,2-diamine

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

3-Fluoro-2-methylaniline443-86-757 % similar 3-Fluoro-2-methyl-6-nitroaniline485832-96-050 % similar 1-Bromo-4-fluoro-2,3-dimethylbenzene52548-00-247 % similar 2-Fluoro-4-methylaniline452-80-245 % similar 2-Fluoro-5-methylaniline452-84-645 % similar 2,3,4-Trifluoroaniline3862-73-545 % similar 1,3-Difluoro-2-methylbenzene443-84-544 % similar 2-Bromo-3,4-difluoroaniline1092349-87-544 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-6-fluorobenzylamine175277-93-7 [(2-Fluorophenyl)methyl]hydrazine51859-98-4 1-(5-Fluoropyridin-2-YL)ethanamine915720-57-9

Elsewhere

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