CAS 484-65-1|(Chloromethyl)pentamethylbenzene|1-(chloromethyl)-2,3,4,5,6-pentamethylbenzene|1-(chloromethyl)-2,3,4,5,6-pentamethylbenzene|2,3,4,5,6-Pentamethylbenzyl chloride|2,3,4,5,6-五甲基苄氯|2,...

General Information

Structure

Molecular Formula

C₁₂H₁₇Cl

Molecular Mass

196.71638

Exact Mass

196.10187822

Charge

InChI

InChI=1S/C12H17Cl/c1-7-8(2)10(4)12(6-13)11(5)9(7)3/h6H2,1-5H3

InChIKey

CXUAEBDTJFKMBV-UHFFFAOYSA-N

Canonic Smiles

ClCc1c(C)c(C)c(c(c1C)C)C

Isomeric Smiles

ClCc1c(c(c(c(c1C)C)C)C)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

5.127595

LogD (pH = 7.4)

5.127595

Log P

5.127595

Molar Refractivity

61.1309

Polarizability

22.809298

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

(Chloromethyl)pentamethylbenzene2,3,4,5,6-Pentamethylbenzyl chloride2,3,4,5,6-五甲基苄氯2,3,4,5,6-Pentamethylbenzyl chloride 98%alpha-Chloro-2,3,4,5,6-pentamethyltoluene1-(Chloromethyl)-2,3,4,5,6-pentamethylbenzene

IUPAC name

1-(chloromethyl)-2,3,4,5,6-pentamethylbenzene

IUPAC Traditional name

1-(chloromethyl)-2,3,4,5,6-pentamethylbenzene

Names and Identifiers

Registration numbers

CAS Number

EC Number

Beilstein Number

MDL Number

PubChem SID

PubChem CID

Registration numbers

Properties

Physical Property

Boiling Point

140-142°C/0.8mm

Melting Point

81-84°C

Product Information

Purity

98+%

Properties

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

暂无数据

点击上传数据

References

PubChem Literature

From Data Sources

• Hindered benzyl esters have been used as a means of carboxyl protection, more sensitive to acid than the corresponding benzyl esters: Austral. J. Chem., 19, 1067, 1511, 2373 (1966); 20, 2243 (1967).

References

Bioactivity

PubChem BioAssay

Bioactivity