chempirical

4-Bromo-2-methylbenzaldehyde

C8H7BrOCAS 24078-12-4199.05 g/mol

Open in Covalent MOL file
BrO
AldehydeAryl halide

Properties

Molecular formula
C8H7BrO
Molar mass
199.05 g/mol
Exact mass
197.9680 Da
logP
2.57Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
24078-12-4
SMILES
CC1=C(C=CC(=C1)Br)C=O
InChIKey
RCBPVESMGNZMSG-UHFFFAOYSA-N
InChI
InChI=1S/C8H7BrO/c1-6-4-8(9)3-2-7(6)5-10/h2-5H,1H3

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Names and synonyms

1 names
  • 4-Bromo-2-methyl-benzaldehyde

Work with 4-Bromo-2-methylbenzaldehyde

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

4-Hydroxy-2-methylbenzaldehyde41438-18-061 % similar 4-Bromo-2-methoxybenzaldehyde43192-33-261 % similar 2,4-Dimethylbenzaldehyde15764-16-660 % similar 4-Bromo-2-hydroxybenzaldehyde22532-62-358 % similar 5-Bromo-2-methoxybenzaldehyde25016-01-758 % similar 4-Bromo-2-chlorobenzaldehyde158435-41-756 % similar 5-Bromosalicylaldehyde1761-61-156 % similar 5-Bromosalicylaldehyde17691-61-156 % similar

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

Same formula

3-Bromoacetophenone2142-63-4 2′-Bromoacetophenone2142-69-0 3-Bromo-4-methyl benzaldehyde36276-24-1 4-(Bromomethyl)benzaldehyde51359-78-5 Phenacyl bromide70-11-1 P-Bromoacetophenone99-90-1

Elsewhere

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