3,4-Diaminobenzotrifluoride

C₇H₇F₃N₂CAS 368-71-8176.14 g/mol

Open in Covalent MOL file

Alkyl halide Primary amine

Properties

Molecular formula: C₇H₇F₃N₂
Molar mass: 176.14 g/mol
Exact mass: 176.0561 Da
logP: 1.87Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed11.1% of notifiers
H302 Harmful if swallowed88.9% of notifiers
H311 Toxic in contact with skin66.7% of notifiers
H312 Harmful in contact with skin11.1% of notifiers
H315 Causes skin irritation77.8% of notifiers
H319 Causes serious eye irritation77.8% of notifiers
H331 Toxic if inhaled11.1% of notifiers
H332 Harmful if inhaled66.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 9 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

368-71-8

SMILES

C1=CC(=C(C=C1C(F)(F)F)N)N

InChIKey

RQWJHUJJBYMJMN-UHFFFAOYSA-N

InChI

InChI=1S/C7H7F3N2/c8-7(9,10)4-1-2-5(11)6(12)3-4/h1-3H,11-12H2

Weigh it out

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

Names and synonyms

1 names

4-Trifluoromethyl-1,2-phenylenediamine

Work with 3,4-Diaminobenzotrifluoride

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

2,5-Bis(trifluoromethyl)aniline328-93-869 % similar 2,4-Bis(trifluoromethyl)aniline367-71-569 % similar 2-Fluoro-5-(trifluoromethyl)aniline535-52-467 % similar 2-Fluoro-4-(trifluoromethyl)aniline69409-98-967 % similar 2-Iodo-5-(trifluoromethyl)aniline105202-02-664 % similar 2-Chloro-5-(trifluoromethyl)aniline121-50-664 % similar 2-Iodo-4-(trifluoromethyl)aniline163444-17-564 % similar 2-Methyl-5-(trifluoromethyl)aniline25449-96-164 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-(Trifluoromethyl)-2-pyridinemethanamine164341-39-3 2-(Trifluoromethyl)benzene-1,4-diamine364-13-6 [2-(Trifluoromethyl)phenyl]hydrazine365-34-4 3,5-Diaminobenzotrifluoride368-53-6 [3-(Trifluoromethyl)phenyl]hydrazine368-78-5 4-Trifluoromethylphenylhydrazine368-90-1 2-Methyl-6-(trifluoromethyl)pyridin-3-amine383907-17-3 5-(Aminomethyl)-2-(trifluoromethyl)pyridine387350-39-2

Elsewhere

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