2-Bromo-4,5-di(trifluoromethyl)aniline

C₈H₄BrF₆NCAS 230295-15-5308.02 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Primary amine

Properties

Molecular formula: C₈H₄BrF₆N
Molar mass: 308.02 g/mol
Exact mass: 306.9431 Da
logP: 4.07Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

230295-15-5

SMILES

C1=C(C(=CC(=C1N)Br)C(F)(F)F)C(F)(F)F

InChIKey

GDBFBFPCVDCVRM-UHFFFAOYSA-N

InChI

InChI=1S/C8H4BrF6N/c9-5-1-3(7(10,11)12)4(2-6(5)16)8(13,14)15/h1-2H,16H2

Weigh it out

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

Names and synonyms

1 names

2-Bromo-4,5-bis(trifluoromethyl)aniline

Work with 2-Bromo-4,5-di(trifluoromethyl)aniline

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-Bromo-4-fluoro-5-(trifluoromethyl)aniline193090-60-772 % similar 4-Bromo-2-fluoro-5-(trifluoromethyl)benzenamine104460-70-061 % similar 2-Bromo-5-trifluoromethylaniline454-79-555 % similar 2-Bromo-4-trifluoromethylaniline57946-63-155 % similar 2,5-Dibromo-1,4-phenylenediamine25462-61-754 % similar 4-Bromo-3-(trifluoromethyl)aniline393-36-250 % similar 4-Bromo-2-(trifluoromethyl)aniline445-02-350 % similar 3-Bromo-4,5-diaminobenzotrifluoride113170-72-248 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Bromo-3,5-bis(trifluoromethyl)aniline174824-16-9

Elsewhere

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