1,4-Dimethylnaphthalene

Names

[ CAS No. ]:
571-58-4

[ Name ]:
1,4-Dimethylnaphthalene

[Synonym ]:
L66J B1 E1
EINECS 209-335-9
Naphthalene, 1,4-dimethyl-
2039842
MFCD00004037
1,4-Dimethylnaphthalene

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
268.0±0.0 °C at 760 mmHg

[ Melting Point ]:
−18 °C(lit.)

[ Molecular Formula ]:
C₁₂H₁₂

[ Molecular Weight ]:
156.224

[ Flash Point ]:
109.2±9.7 °C

[ Exact Mass ]:
156.093903

[ LogP ]:
4.37

[ Vapour Pressure ]:
0.0±0.2 mmHg at 25°C

[ Index of Refraction ]:
1.605

MSDS

Click to get detail MSDS

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves

[ Safety Phrases ]:
S23-S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ HS Code ]:
2902909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2902909090

[ Summary ]:
2902909090 other aromatic hydrocarbons。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:2.0%。General tariff:30.0%

Articles

QSPR modeling of octanol/water partition coefficient for vitamins by optimal descriptors calculated with SMILES.

Eur. J. Med. Chem. 43 , 714-40, (2008)

Simplified molecular input line entry system (SMILES) has been utilized in constructing quantitative structure-property relationships (QSPR) for octanol/water partition coefficient of vitamins and org...

Predictive three-dimensional quantitative structure-activity relationship of cytochrome P450 1A2 inhibitors.

J. Med. Chem. 48 , 3808-15, (2005)

The purpose of this study was to determine the cytochrome P450 1A2 (CYP1A2) inhibition potencies of structurally diverse compounds to create a comprehensive three-dimensional quantitative structure-ac...

Disposition and metabolism of 1,4-dimethylnaphthalene in rat.

Int. J. Occup. Med. Environ. Health 13(4) , 325-34, (2000)

The distribution, excretion and metabolism of 1,4-dimethylnaphthalene following i.p. administration of a single dose of 28 mg/kg to rats, was investigated using radiotracer [3H] and gas chromatography...