2,2'-Bis(trifluoromethyl)benzidine

C₁₄H₁₀F₆N₂CAS 341-58-2320.24 g/mol

Open in Covalent MOL file

Alkyl halide Primary amine

Properties

Molecular formula: C₁₄H₁₀F₆N₂
Molar mass: 320.24 g/mol
Exact mass: 320.0748 Da
logP: 4.56Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed95.2% of notifiers
H319 Causes serious eye irritation97.6% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, P501

Identifiers

CAS number

341-58-2

SMILES

C1=CC(=C(C=C1N)C(F)(F)F)C2=C(C=C(C=C2)N)C(F)(F)F

InChIKey

NVKGJHAQGWCWDI-UHFFFAOYSA-N

InChI

InChI=1S/C14H10F6N2/c15-13(16,17)11-5-7(21)1-3-9(11)10-4-2-8(22)6-12(10)14(18,19)20/h1-6H,21-22H2

Weigh it out

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

Names and synonyms

1 names

(1,1'-Biphenyl)-4,4'-diamine, 2,2'-bis(trifluoromethyl)-

Work with 2,2'-Bis(trifluoromethyl)benzidine

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-(Trifluoromethyl)benzene-1,4-diamine364-13-667 % similar 4-Fluoro-3-(trifluoromethyl)aniline2357-47-364 % similar 4-Chloro-3-(trifluoromethyl)aniline320-51-462 % similar 4,4'-Oxybis[3-(trifluoromethyl)aniline]344-48-962 % similar 4-Bromo-3-(trifluoromethyl)aniline393-36-262 % similar 4-Methyl-3-(trifluoromethyl)aniline65934-74-962 % similar 3-Fluoro-4-(trifluoromethyl)aniline69411-68-359 % similar 3-Chloro-4-trifluoromethylaniline445-13-657 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,3'-Bis(trifluoromethyl)benzidine346-88-3

Elsewhere

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