chempirical

3-(Bromomethyl)benzaldehyde

C8H7BrOCAS 82072-23-9199.05 g/mol

Open in Covalent MOL file
OBr
AldehydeAlkyl 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 Ų
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
82072-23-9
SMILES
C1=CC(=CC(=C1)C=O)CBr
InChIKey
OEPGAYXSRGROSQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H7BrO/c9-5-7-2-1-3-8(4-7)6-10/h1-4,6H,5H2

Weigh it out

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

Work with 3-(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

1,3-Bis(bromomethyl)benzene626-15-358 % similar Isophthalaldehyde626-19-758 % similar 3-Bromobenzaldehyde3132-99-852 % similar 3-Benzyloxybenzaldehyde1700-37-449 % similar 3-Fluorobenzyl bromide456-41-748 % similar 3-Fluorobenzaldehyde456-48-448 % similar 3-Chlorobenzaldehyde587-04-248 % similar 3-Chlorobenzyl bromide766-80-348 % 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 4-(Bromomethyl)benzaldehyde51359-78-5 5-Bromo-2,3-dihydro-1-benzofuran66826-78-6 Phenacyl bromide70-11-1 2-Bromo-4-methylbenzaldehyde824-54-4

Elsewhere

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