4-(Bromomethyl)benzaldehyde

C8H7BrOCAS 51359-78-5199.05 g/mol

Open in Covalent MOL file
BrO
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

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, P501

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

PubChem CAS Common Chemistry NIST WebBook