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573-98-8,MFCD00004035
Catalog No.:AA003DBV

573-98-8 | 1,2-Dimethylnaphthalene

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250mg
95%
in stock  
$97.00   $68.00
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1g
>95.0%(GC)
in stock  
$109.00   $76.00
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5g
95%
in stock  
$531.00   $372.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003DBV
Chemical Name:
1,2-Dimethylnaphthalene
CAS Number:
573-98-8
Molecular Formula:
C12H12
Molecular Weight:
156.2237
MDL Number:
MFCD00004035
SMILES:
CC1=C(C2=CC=CC=C2C=C1)C
NSC Number:
59832
Properties
Properties
 
BP:
266.5°C  
Form:
Liquid  
MP:
−2-−1 °C(lit.)  
Refractive Index:
n20/D 1.615(lit.)  

Computed Properties
 
Complexity:
150  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
XLogP3:
4.3  

Downstream Synthesis Route

[1]Buu-Hoi;Lecocq[ComptesRendusHebdomadairesdesSeancesdel'AcademiedesSciences,1948,vol.226,p.87]

[1]BioorganicandMedicinalChemistry,2011,vol.19,p.5716-5733

[2]JournalofMedicinalChemistry,1997,vol.40,p.1720-1725

[3]Synthesis,2011,p.2945-2950

[4]Tetrahedron,2008,vol.64,p.4275-4286

[5]BioorganicandMedicinalChemistry,2009,vol.17,p.3568-3571

[6]ChemischeBerichte,1956,vol.89,p.708,711

[7]Synthesis,1983,p.497-498

[8]JournaloftheChemicalSociety.PerkintransactionsI,1980,p.2812-2817

[9]TetrahedronLetters,2007,vol.48,p.3379-3383

[10]Patent:US2003/229226,2003,A1.Locationinpatent:Page11

[11]ZeitschriftfurNaturforschung,B:ChemicalSciences,2010,vol.65,p.433-444

[1]TetrahedronLetters,1984,vol.25,p.2139-2142

[2]TetrahedronLetters,1984,vol.25,p.2139-2142

[1]TetrahedronLetters,1989,vol.30,p.4677-4680

[1]Wang,Chenguang;Mosberg,HenryI.[TetrahedronLetters,1995,vol.36,#21,p.3623-3626]

Literature

Title: Alkylation effects on the energy transfer of highly vibrationally excited naphthalene.

Journal: Chemistry, an Asian journal 20111104

Title: Hydrocarbon contamination decreases mating success in a marine planktonic copepod.

Journal: PloS one 20110101

Title: A molecular and co-evolutionary context for grazer induced toxin production in Alexandrium tamarense.

Journal: PloS one 20100101

Title: Exploring QSAR and QAAR for inhibitors of cytochrome P450 2A6 and 2A5 enzymes using GFA and G/PLS techniques.

Journal: European journal of medicinal chemistry 20090501

Title: Lethal and sublethal effects of naphthalene and 1,2-dimethylnaphthalene on naupliar and adult stages of the marine cyclopoid copepod Oithona davisae.

Journal: Environmental pollution (Barking, Essex : 1987) 20090401

Title: Predicting survival of grass shrimp (Palaemonetes pugio) exposed to naphthalene, fluorene, and dibenzothiophene.

Journal: Environmental toxicology and chemistry 20080801

Title: Pyrene fate affected by humic acid amendment in soil slurry systems.

Journal: Journal of biological engineering 20080101

Title: Dermal exposure to jet fuel suppresses delayed-type hypersensitivity: a critical role for aromatic hydrocarbons.

Journal: Toxicological sciences : an official journal of the Society of Toxicology 20071201

Title: Relaxation time, diffusion, and viscosity analysis of model asphalt systems using molecular simulation.

Journal: The Journal of chemical physics 20071121

Title: Gene expression and target tissue dose in the rat epidermis after brief JP-8 and JP-8 aromatic and aliphatic component exposures.

Journal: Toxicological sciences : an official journal of the Society of Toxicology 20070601

Title: Predicting survival of grass shrimp (Palaemonetes pugio) during ethylnaphthalene, dimethylnaphthalene, and phenanthrene exposures differing in concentration and duration.

Journal: Environmental toxicology and chemistry 20070301

Title: Electronic polarizability as a predictor of biodegradation rates of dimethylnaphthalenes. an ab initio and density functional theory study.

Journal: Environmental science & technology 20070301

Title: Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.

Journal: Journal of molecular graphics & modelling 20061101

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

Journal: Journal of medicinal chemistry 20050602

Title: Effect of in vivo jet fuel exposure on subsequent in vitro dermal absorption of individual aromatic and aliphatic hydrocarbon fuel constituents.

Journal: Journal of toxicology and environmental health. Part A 20050514

Title: Quantitative structure-activity relationship analysis of inhibitors of the nicotine metabolizing CYP2A6 enzyme.

Journal: Journal of medicinal chemistry 20050127

Title: 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.

Journal: Toxicologic pathology 20050101

Title: Dose Related Absorption of JP-8 Jet Fuel Hydrocarbons Through Porcine Skin with Quantitative Structure Permeability Relationship Analysis.

Journal: Toxicology mechanisms and methods 20040101

Title: The cytotoxicity of jet fuel aromatic hydrocarbons and dose-related interleukin-8 release from human epidermal keratinocytes.

Journal: Archives of toxicology 20030701

Title: Rate constants for the gas-phase reactions of a series of alkylnaphthalenes with the nitrate radical.

Journal: Environmental science & technology 20030115

Title: Chemical composition of the essential oils of two Chinese endemic Meconopsis species.

Journal: Zeitschrift fur Naturforschung. C, Journal of biosciences 20030101

Title: Reassessment of the hydrocarbons in Prince William Sound and the Gulf of Alaska: identifying the source using partial least-squares.

Journal: Environmental science & technology 20020601

Title: Rate constants for the gas-phase reactions of a series of alkylnaphthalenes with the OH radical.

Journal: Environmental science & technology 20020501

Title: Humic acid enhanced remediation of an emplaced diesel source in groundwater. 2. Numerical model development and application.

Journal: Journal of contaminant hydrology 20020201

Title: Dansyl chloride derivatization of methamphetamine: a method with advantages for screening and analysis of methamphetamine in urine.

Journal: Journal of analytical toxicology 20020101

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