3,3'-Bis(trifluoromethyl)benzidine

C₁₄H₁₀F₆N₂CAS 346-88-3320.24 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 swallowed100% of notifiers
H311 Toxic in contact with skin100% of notifiers
H331 Toxic if inhaled100% of notifiers

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

Precautionary statements

P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, P501

Identifiers

CAS number

346-88-3

SMILES

C1=CC(=C(C=C1C2=CC(=C(C=C2)N)C(F)(F)F)C(F)(F)F)N

InChIKey

PJWQLRKRVISYPL-UHFFFAOYSA-N

InChI

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

Weigh it out

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Work with 3,3'-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 2,4-Bis(trifluoromethyl)aniline367-71-567 % similar 4-Fluoro-2-(trifluoromethyl)aniline393-39-564 % similar 4-Bromo-2-(trifluoromethyl)aniline445-02-362 % similar 2-Trifluoromethyl-4-chloroaniline445-03-462 % similar 2-Amino-5-methylbenzotrifluoride87617-23-062 % similar 4-Methoxy-2-(trifluoromethyl)aniline53903-49-458 % similar 2-Amino-5-cyanobenzotrifluoride327-74-256 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,2'-Bis(trifluoromethyl)benzidine341-58-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook