3,5-Diaminobenzotrifluoride

C₇H₇F₃N₂CAS 368-53-6176.14 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
Melting point: 88 °C
logP: 1.87Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed97.9% of notifiers
H311 Toxic in contact with skin10.6% of notifiers
H315 Causes skin irritation17% of notifiers
H318 Causes serious eye damage93.6% of notifiers
H332 Harmful if inhaled12.8% of notifiers
H335 May cause respiratory irritation14.9% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

368-53-6

SMILES

Nc1cc(N)cc(C(F)(F)F)c1

InChIKey

KZSXRDLXTFEHJM-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

9 names

1,3-Benzenediamine, 5-(trifluoromethyl)-
Toluene-3,5-diamine, α,α,α-trifluoro-
5-(Trifluoromethyl)-1,3-benzenediamine
5-(Trifluoromethyl)-1,3-phenylenediamine
5-Trifluoromethyl-1,3-benzenediamine
5-(Trifluoromethyl)-1,3-diaminobenzene
3,5-Diamino-1-trifluoromethylbenzene
1-Trifluoromethyl-3,5-diaminobenzene
5-(Trifluoromethyl)benzene-1,3-diamine

Work with 3,5-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

3,5-Bis(trifluoromethyl)benzenamine328-74-589 % similar 3-Fluoro-5-trifluoromethylaniline454-67-171 % similar 3-Bromo-5-(trifluoromethyl)aniline54962-75-368 % similar 3-Chloro-5-(trifluoromethyl)benzenamine69411-05-868 % similar 3-Methyl-5-trifluoromethylaniline96100-12-868 % similar 5-(Trifluoromethyl)-m-anisidine349-55-361 % similar 3-(Trifluoromethyl)aniline98-16-860 % similar 1,3,5-Tris(trifluoromethyl)benzene729-81-758 % 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 3,4-Diaminobenzotrifluoride368-71-8 [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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