3-Bromo-5-(trifluoromethyl)benzaldehyde

C₈H₄BrF₃OCAS 477535-41-4253.02 g/mol

Open in Covalent MOL file

Aldehyde Alkyl halide Aryl halide

Properties

Molecular formula: C₈H₄BrF₃O
Molar mass: 253.02 g/mol
Exact mass: 251.9398 Da
logP: 3.28Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

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

477535-41-4

SMILES

C1=C(C=C(C=C1C(F)(F)F)Br)C=O

InChIKey

PCRLZGCXLNNMFL-UHFFFAOYSA-N

InChI

InChI=1S/C8H4BrF3O/c9-7-2-5(4-13)1-6(3-7)8(10,11)12/h1-4H

Weigh it out

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

Work with 3-Bromo-5-(trifluoromethyl)benzaldehyde

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

3,5-Bis(trifluoromethyl)benzaldehyde401-95-671 % similar 5-Bromoisophthalaldehyde120173-41-361 % similar 1-Bromo-3,5-bis(trifluoromethyl)benzene328-70-161 % similar 1,3-Dibromo-5-(trifluoromethyl)benzene401-84-361 % similar 3,5-Dibromobenzaldehyde56990-02-461 % similar 3-Fluoro-5-(trifluoromethyl)benzaldehyde188815-30-761 % similar 3-Bromo-5-fluorobenzaldehyde188813-02-755 % similar 3-Bromo-5-(trifluoromethoxy)benzaldehyde886498-07-354 % similar

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

Same formula

2-Bromo-5-(trifluoromethyl)benzaldehyde102684-91-3 4′-Bromo-2,2,2-trifluoroacetophenone16184-89-7 3'-Bromo-2,2,2-trifluoroacetophenone655-26-5 2-Bromo-4-(trifluoromethyl)benzaldehyde85118-24-7 4-Bromo-2-(trifluoromethyl)benzaldehyde861928-27-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook