1,2-Dimethylnaphthalene - CAS 573-98-8

Catalog:	BB029690
Product Name:	1,2-Dimethylnaphthalene
CAS:	573-98-8
Synonyms:	1,2-dimethylnaphthalene

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	1,2-dimethylnaphthalene
Description:	1,2-Dimethylnaphthalene (CAS# 573-98-8) is a polycyclic aromatic hydrocarbon and a useful compound for metabolic and environmental research.
Molecular Weight:	156.22
Molecular Formula:	C12H12
Canonical SMILES:	CC1=C(C2=CC=CC=C2C=C1)C
InChI:	InChI=1S/C12H12/c1-9-7-8-11-5-3-4-6-12(11)10(9)2/h3-8H,1-2H3
InChI Key:	QNLZIZAQLLYXTC-UHFFFAOYSA-N
Boiling Point:	268 °C
Flash Point:	214 °F
Density:	1.013 g/cm³
Solubility:	Difficult to mix in water.
Appearance:	Colorless liquid
MDL:	MFCD00004035
LogP:	3.45660
Vapor Pressure:	48 mmHg at 124 °F ; 89 mmHg at 167 °F; 147 mmHg at 199 °F

Publication Number	Title	Priority Date
CN-113429944-A	Novel ionic liquid-based organic heat carrier material and preparation method thereof	20210728
AU-2021103302-A4	Device and method for extracting Methylnaphthalene from LCO Bicyclic Aromatic Hydrocarbons	20210611
CN-113501742-A	Utilization method of ethylene cracking C4	20210528
CN-113125592-A	Method for separating monocyclic, bicyclic, tricyclic and polycyclic aromatic hydrocarbons from high-sulfur crude oil	20210330
CN-113004110-A	Synthesis method of 1, 4-dimethylnaphthalene	20210303

PMID	Publication Date	Title	Journal
21780292	20111104	Alkylation effects on the energy transfer of highly vibrationally excited naphthalene	Chemistry, an Asian journal
22053187	20110101	Hydrocarbon contamination decreases mating success in a marine planktonic copepod	PloS one
21124775	20101129	A molecular and co-evolutionary context for grazer induced toxin production in Alexandrium tamarense	PloS one
19110342	20090501	Exploring QSAR and QAAR for inhibitors of cytochrome P450 2A6 and 2A5 enzymes using GFA and G/PLS techniques	European journal of medicinal chemistry
19147262	20090401	Lethal and sublethal effects of naphthalene and 1,2-dimethylnaphthalene on naupliar and adult stages of the marine cyclopoid copepod Oithona davisae	Environmental pollution (Barking, Essex : 1987)

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Complexity:	150
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	156.093900383
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	156.093900383
Rotatable Bond Count:	0
Topological Polar Surface Area:	0
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.3