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573-98-8

573-98-8 | 1,2-DIMETHYLNAPHTHALENE

CAS No: 573-98-8 Catalog No: AG003DEN MDL No:MFCD00004035

Product Description

Catalog Number:
AG003DEN
Chemical Name:
1,2-DIMETHYLNAPHTHALENE
CAS Number:
573-98-8
MDL Number:
MFCD00004035
IUPAC Name:
1,2-dimethylnaphthalene
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
EC Number:
209-364-7
UNII:
23T7O135BD
NSC Number:
59832

Properties

Complexity:
150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.094g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.228g/mol
Monoisotopic Mass:
156.094g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  

Literature

Title Journal
Alkylation effects on the energy transfer of highly vibrationally excited naphthalene. Chemistry, an Asian journal 20111104
Hydrocarbon contamination decreases mating success in a marine planktonic copepod. PloS one 20110101
A molecular and co-evolutionary context for grazer induced toxin production in Alexandrium tamarense. PloS one 20100101
Exploring QSAR and QAAR for inhibitors of cytochrome P450 2A6 and 2A5 enzymes using GFA and G/PLS techniques. European journal of medicinal chemistry 20090501
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) 20090401
Predicting survival of grass shrimp (Palaemonetes pugio) exposed to naphthalene, fluorene, and dibenzothiophene. Environmental toxicology and chemistry 20080801
Pyrene fate affected by humic acid amendment in soil slurry systems. Journal of biological engineering 20080101
Dermal exposure to jet fuel suppresses delayed-type hypersensitivity: a critical role for aromatic hydrocarbons. Toxicological sciences : an official journal of the Society of Toxicology 20071201
Relaxation time, diffusion, and viscosity analysis of model asphalt systems using molecular simulation. The Journal of chemical physics 20071121
Gene expression and target tissue dose in the rat epidermis after brief JP-8 and JP-8 aromatic and aliphatic component exposures. Toxicological sciences : an official journal of the Society of Toxicology 20070601
Predicting survival of grass shrimp (Palaemonetes pugio) during ethylnaphthalene, dimethylnaphthalene, and phenanthrene exposures differing in concentration and duration. Environmental toxicology and chemistry 20070301
Electronic polarizability as a predictor of biodegradation rates of dimethylnaphthalenes. an ab initio and density functional theory study. Environmental science & technology 20070301
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods. Journal of molecular graphics & modelling 20061101
Predictive three-dimensional quantitative structure-activity relationship of cytochrome P450 1A2 inhibitors. Journal of medicinal chemistry 20050602
Effect of in vivo jet fuel exposure on subsequent in vitro dermal absorption of individual aromatic and aliphatic hydrocarbon fuel constituents. Journal of toxicology and environmental health. Part A 20050514
Quantitative structure-activity relationship analysis of inhibitors of the nicotine metabolizing CYP2A6 enzyme. Journal of medicinal chemistry 20050127
Comparative in vivo toxicity of topical JP-8 jet fuel and its individual hydrocarbon components: identification of tridecane and tetradecane as key constituents responsible for dermal irritation. Toxicologic pathology 20050101
Dose Related Absorption of JP-8 Jet Fuel Hydrocarbons Through Porcine Skin with Quantitative Structure Permeability Relationship Analysis. Toxicology mechanisms and methods 20040101
The cytotoxicity of jet fuel aromatic hydrocarbons and dose-related interleukin-8 release from human epidermal keratinocytes. Archives of toxicology 20030701
Rate constants for the gas-phase reactions of a series of alkylnaphthalenes with the nitrate radical. Environmental science & technology 20030115
Chemical composition of the essential oils of two Chinese endemic Meconopsis species. Zeitschrift fur Naturforschung. C, Journal of biosciences 20030101
Reassessment of the hydrocarbons in Prince William Sound and the Gulf of Alaska: identifying the source using partial least-squares. Environmental science & technology 20020601
Rate constants for the gas-phase reactions of a series of alkylnaphthalenes with the OH radical. Environmental science & technology 20020501
Humic acid enhanced remediation of an emplaced diesel source in groundwater. 2. Numerical model development and application. Journal of contaminant hydrology 20020201
Dansyl chloride derivatization of methamphetamine: a method with advantages for screening and analysis of methamphetamine in urine. Journal of analytical toxicology 20020101

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