chempirical

1-Chloro-2-ethylbenzene

C8H9ClCAS 89-96-3140.61 g/mol

Open in Covalent MOL file
Cl
Aryl halide

Properties

Molecular formula
C8H9Cl
Molar mass
140.61 g/mol
Exact mass
140.0393 Da
logP
2.90Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
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
89-96-3
SMILES
CCC1=CC=CC=C1Cl
InChIKey
CVGAWKYSRYXQOI-UHFFFAOYSA-N
InChI
InChI=1S/C8H9Cl/c1-2-7-5-3-4-6-8(7)9/h3-6H,2H2,1H3

Weigh it out

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

Work with 1-Chloro-2-ethylbenzene

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

1,2-Diethylbenzene135-01-362 % similar 2-Chlorobenzyl chloride611-19-856 % similar 4-Chloro-3-ethylphenol14143-32-955 % similar 2-Chlorobenzyl alcohol17849-38-654 % similar 2-Chlorobenzyl mercaptan39718-00-854 % similar 2-Chlorobenzyl bromide611-17-654 % similar 2-Chlorobenzylamine89-97-454 % similar 2-Ethylphenol90-00-654 % similar

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

Same formula

4-Methylbenzyl chloride104-82-5 2-Methylbenzyl chloride552-45-4 1-Chloro-3,5-dimethylbenzene556-97-8 1-Chloro-2,3-dimethylbenzene608-23-1 4-Chloro-1,2-dimethylbenzene615-60-1 3-Methylbenzyl chloride620-19-9 Phenylethyl chloride622-24-2 1-Chloro-4-ethylbenzene622-98-0

Elsewhere

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