chempirical

2,6-Dimethylbenzyl chloride

C9H11ClCAS 5402-60-8154.64 g/mol

Open in Covalent MOL file
Cl
Alkyl halide

Properties

Molecular formula
C9H11Cl
Molar mass
154.64 g/mol
Exact mass
154.0549 Da
logP
3.04Crippen 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
5402-60-8
SMILES
CC1=C(C(=CC=C1)C)CCl
InChIKey
HPVRFWQMBYLJRL-UHFFFAOYSA-N
InChI
InChI=1S/C9H11Cl/c1-7-4-3-5-8(2)9(7)6-10/h3-5H,6H2,1-2H3

Weigh it out

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Work with 2,6-Dimethylbenzyl chloride

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

2,4,6-Trimethylbenzyl chloride1585-16-656 % similar 2-Methylbenzyl chloride552-45-456 % similar 1-(Chloromethyl)-2-methylnaphthalene6626-23-955 % similar (2,6-Dimethylphenyl)methanol62285-58-952 % similar 2,4-Bis(chloromethyl)-1,3,5-trimethylbenzene1585-17-750 % similar 2,6-Dichlorobenzyl chloride2014-83-750 % similar 2-Chloro-1,3-dimethylbenzene6781-98-248 % similar 2,6-Difluorobenzyl chloride697-73-446 % similar

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

Same formula

3,4-Dimethylbenzyl chloride102-46-5 1-Chloro-3-phenylpropane104-52-9 4-Ethylbenzyl chloride1467-05-6 2-Chloromesitylene1667-04-5 3,5-Dimethylbenzyl chloride2745-54-2 2,5-Dimethylbenzyl chloride824-45-3 2,4-Dimethylbenzyl chloride824-55-5 (1-Chloro-1-methylethyl)benzene934-53-2

Elsewhere

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