4-(Bromomethyl)benzaldehyde

C₈H₇BrOCAS 51359-78-5199.05 g/mol

Open in Covalent MOL file

Aldehyde Alkyl halide

Properties

Molecular formula: C₈H₇BrO
Molar mass: 199.05 g/mol
Exact mass: 197.9680 Da
logP: 2.39Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

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

51359-78-5

SMILES

C1=CC(=CC=C1CBr)C=O

InChIKey

XYPVBKDHERGKJG-UHFFFAOYSA-N

InChI

InChI=1S/C8H7BrO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,6H,5H2

Weigh it out

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

Work with 4-(Bromomethyl)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

1,4-Bis(bromomethyl)benzene623-24-557 % similar 1,4-Benzenedicarboxaldehyde623-27-857 % similar 4-Ethylbenzaldehyde4748-78-156 % similar 4-Propylbenzaldehyde28785-06-054 % similar 4-Bromobenzaldehyde1122-91-450 % similar 4-Butylbenzaldehyde1200-14-250 % similar 4-Isobutylbenzaldehyde40150-98-950 % similar [1,1′-Biphenyl]-4,4′-dicarboxaldehyde66-98-850 % similar

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

Same formula

3-Bromoacetophenone2142-63-4 2′-Bromoacetophenone2142-69-0 4-Bromo-2-methylbenzaldehyde24078-12-4 3-Bromo-4-methyl benzaldehyde36276-24-1 5-Bromo-2,3-dihydro-1-benzofuran66826-78-6 Phenacyl bromide70-11-1 3-(Bromomethyl)benzaldehyde82072-23-9 2-Bromo-4-methylbenzaldehyde824-54-4

Elsewhere

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