3-Chloro-5-(trifluoromethyl)-1,2-benzenediamine

C₇H₆ClF₃N₂CAS 132915-80-1210.58 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Primary amine

Properties

Molecular formula: C₇H₆ClF₃N₂
Molar mass: 210.58 g/mol
Exact mass: 210.0172 Da
logP: 2.52Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed88.9% of notifiers
H311 Toxic in contact with skin77.8% of notifiers
H312 Harmful in contact with skin11.1% of notifiers
H315 Causes skin irritation88.9% of notifiers
H319 Causes serious eye irritation88.9% of notifiers
H332 Harmful if inhaled88.9% of notifiers
H335 May cause respiratory irritation100% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure11.1% of notifiers

Aggregated from 9 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+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

132915-80-1

SMILES

Nc1cc(C(F)(F)F)cc(Cl)c1N

InChIKey

NVNLHLRVSHJKBN-UHFFFAOYSA-N

InChI

InChI=1S/C7H6ClF3N2/c8-4-1-3(7(9,10)11)2-5(12)6(4)13/h1-2H,12-13H2

Weigh it out

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

Names and synonyms

6 names

1,2-Benzenediamine, 3-chloro-5-(trifluoromethyl)-
3-Chloro-5-trifluoromethyl-1,2-phenylenediamine
1,2-Diamino-3-chloro-5-(trifluoromethyl)benzene
3-Chloro-5-trifluoromethyl-1,2-diaminobenzene
3-Chloro-4,5-diaminobenzotrifluoride
3-Chloro-5-(trifluoromethyl)benzene-1,2-diamine

Work with 3-Chloro-5-(trifluoromethyl)-1,2-benzenediamine

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

2,6-Dichloro-4-trifluoromethylaniline24279-39-878 % similar 2-Bromo-6-chloro-4-(trifluoromethyl)aniline109919-26-864 % similar 3,5-Bis(trifluoromethyl)-1,2-diaminobenzene367-65-761 % similar 2-Chloro-5-(trifluoromethyl)aniline121-50-659 % similar 2-Chloro-4-trifluoromethylaniline39885-50-259 % similar 3-Bromo-4,5-diaminobenzotrifluoride113170-72-258 % similar 4-Amino-3-chloro-5-nitrobenzotrifluoride57729-79-054 % similar 3,4,5-Trichlorobenzotrifluoride50594-82-653 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Chloro-5,6-dimethyl-2-(trifluoromethyl)pyrimidine175277-32-4 1-[2-Chloro-5-(trifluoromethyl)phenyl]hydrazine1869-22-3 2-Chloro-5-(trifluoromethyl)benzene-1,3-diamine34207-44-8 1-[2-Chloro-4-(trifluoromethyl)phenyl]hydrazine86398-98-3

Elsewhere

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