2-(1-Chloroethyl)-1,4-dimethylbenzene

HCID 93700

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Basic information

CAS: 57527-74-9
Standard SMILES: Cc1ccc(C)c(C(C)Cl)c1
InChIKey: ZPBVKSBGMQFLMA-UHFFFAOYSA-N
Molecular formula: C10H13Cl
Average molar mass: 168.66 g/mol
Monoisotopic mass: 168.0705781

Names & identifiers

Preferred name: 2-(1-Chloroethyl)-1,4-dimethylbenzene
IUPAC: 2-(1-chloroethyl)-1,4-dimethylbenzene
English name: 2-(1-chloroethyl)-1,4-dimethylbenzene
Molecular formula: C10H13Cl
Molecular weight: 168.66

Names & synonyms

2-(1-Chloroethyl)-1,4-dimethylbenzene57527-74-9EINECS 260-793-6DTXSID80973061RefChem:83812DTXCID301400519260-793-62-(1-chloroethyl)-1,4-dimethyl-benzeneDexmedetomidine Impurity 2363SCF4S9YVSCHEMBL5953148HCA52774

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Medetomidine Impurity 69

1-(2,5-dimethylphenyl)ethyl chlorideDB-301620Benzene, 2-(1-chloroethyl)-1,4-dimethyl-NS00054119EN300-82171G53531

Database identifiers

CAS: 57527-74-9
PubChem CID: 93700
DTXSID: DTXSID80973061
UNII: 63SCF4S9YV
EC Number: 260-793-6
Nikkaji: J296.723E

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 122

Chemistry & industry

Applications

Uses2-(1-Chloroethyl)-1,4-dimethylbenzene is used in preparation and reaction of (Dimethylphenyl)Ethyldiphenylphosphine with Pd Acetate to give optically active Phosphapalladacycles.