3,5-Bis(trifluoromethyl)-1,2-diaminobenzene

C₈H₆F₆N₂CAS 367-65-7244.14 g/mol

Open in Covalent MOL file

Alkyl halide Primary amine

Properties

Molecular formula: C₈H₆F₆N₂
Molar mass: 244.14 g/mol
Exact mass: 244.0435 Da
logP: 2.89Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H311 Toxic in contact with skin62.5% of notifiers
H312 Harmful in contact with skin25% of notifiers
H315 Causes skin irritation87.5% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled87.5% of notifiers
H335 May cause respiratory irritation87.5% of notifiers

Aggregated from 8 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+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

367-65-7

SMILES

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

InChIKey

BRLIJPMFMGTIAW-UHFFFAOYSA-N

InChI

InChI=1S/C8H6F6N2/c9-7(10,11)3-1-4(8(12,13)14)6(16)5(15)2-3/h1-2H,15-16H2

Weigh it out

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

Names and synonyms

1 names

1,2-Diamino-3,5-bis(trifluoromethyl)benzene

Work with 3,5-Bis(trifluoromethyl)-1,2-diaminobenzene

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-Bromo-4,5-diaminobenzotrifluoride113170-72-261 % similar 3-Chloro-5-(trifluoromethyl)-1,2-benzenediamine132915-80-161 % similar 2-Bromo-3,5-bis(trifluoromethyl)aniline174824-16-961 % similar 2-Chloro-3,5-bis(trifluoromethyl)benzenamine201593-90-061 % similar 2,5-Bis(trifluoromethyl)aniline328-93-857 % similar 2,4-Bis(trifluoromethyl)aniline367-71-557 % similar 2-Chloro-5-(trifluoromethyl)benzene-1,3-diamine34207-44-853 % similar 3,4-Diaminobenzotrifluoride368-71-850 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

[3,5-Bis(trifluoromethyl)phenyl]hydrazine886-35-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook