CAS 553-94-6|benzene, 2-bromo-1,4-dimethyl-|2-bromo-1,4-dimethylbenzene|1-Bromo-2,5-dimethylbenzene|2,5-Dimethylbromobenzene|2-溴-对二甲苯|2-溴-1,4-二甲苯|2-Bromo-p-xylene|2-Bromo-1,4-dimethylbenzen...

General Information

Structure

Molecular Formula

C₈H₉Br

Molecular Mass

185.06106

Exact Mass

183.98876229

Charge

InChI

InChI=1S/C8H9Br/c1-6-3-4-7(2)8(9)5-6/h3-5H,1-2H3

InChIKey

QXISTPDUYKNPLU-UHFFFAOYSA-N

Canonic Smiles

Cc1ccc(c(c1)Br)C

Isomeric Smiles

c1(c(ccc(c1)C)C)Br

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.7688413

LogD (pH = 7.4)

3.7688413

Log P

3.7688413

Molar Refractivity

43.7632

Polarizability

16.583996

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

benzene, 2-bromo-1,4-dimethyl-

IUPAC name

2-bromo-1,4-dimethylbenzene

Synonyms

1-Bromo-2,5-dimethylbenzene2,5-Dimethylbromobenzene2-溴-对二甲苯2-溴-1,4-二甲苯2-Bromo-p-xylene2-Bromo-1,4-dimethylbenzene2-Bromo-p-xylene2,5-Dimethylbromobenzene2-Bromo-1,4-dimethylbenzene2-溴对二甲苯

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem CID

PubChem SID

EC Number

Beilstein Number

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

MP Biomedicals

05202201

MP Biomedicals Rare Chemical collection

Sigma Aldrich

167266

Packaging
5, 25, 100 g in glass bottle

Molecule Details

References

PubChem Literature

From Data Sources

• In the presence of sodamide, undergoes displacement by nucleophiles, e.g. the anions of secondary amines, by a benzyne mechanism, to give dialkylamino derivatives in high yield: J. Org. Chem., 48, 4397 (1983).

References

Bioactivity

PubChem BioAssay

Bioactivity