4-Chloro-2-methylbenzaldehyde

C₈H₇ClOCAS 40137-29-9154.59 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₈H₇ClO
Molar mass: 154.59 g/mol
Exact mass: 154.0185 Da
logP: 2.46Crippen 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

40137-29-9

SMILES

CC1=C(C=CC(=C1)Cl)C=O

InChIKey

YLXSEAVHGJWSTK-UHFFFAOYSA-N

InChI

InChI=1S/C8H7ClO/c1-6-4-8(9)3-2-7(6)5-10/h2-5H,1H3

Weigh it out

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

Work with 4-Chloro-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

2,4-Dimethylbenzaldehyde15764-16-660 % similar 2,4-Dichlorobenzaldehyde874-42-060 % similar 4-Chloro-2-hydroxybenzaldehyde2420-26-058 % similar 4-Bromo-2-methylbenzaldehyde24078-12-456 % similar 4-Hydroxy-2-methylbenzaldehyde41438-18-056 % similar 4-Chloro-2-fluorobenzaldehyde61072-56-856 % similar 4-Fluoro-2-methylbenzaldehyde63082-45-156 % similar 5-Chlorosalicylaldehyde635-93-856 % similar

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

Same formula

Phenylacetyl chloride103-80-0 2-Chloro-6-methylbenzaldehyde1194-64-5 3-Methylbenzoyl chloride1711-06-4 2′-Chloroacetophenone2142-68-9 4-Chlorostyrene oxide2788-86-5 3-Chloro-4-methylbenzaldehyde3411-03-8 Phenacyl chloride532-27-4 (R)-(+)-3-Chlorostyrene oxide62600-71-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook