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D170801

Sigma-Aldrich

2,3-Dimethylnaphthalene

97%

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About This Item

Linear Formula:
C10H6(CH3)2
CAS Number:
Molecular Weight:
156.22
Beilstein/REAXYS Number:
1852621
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

97%

form

flakes

bp

269 °C (lit.)

mp

103-104 °C (lit.)

SMILES string

Cc1cc2ccccc2cc1C

InChI

1S/C12H12/c1-9-7-11-5-3-4-6-12(11)8-10(9)2/h3-8H,1-2H3

InChI key

WWGUMAYGTYQSGA-UHFFFAOYSA-N

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Related Categories

pictograms

Exclamation mark

signalword

Warning

hcodes

Hazard Classifications

Acute Tox. 4 Oral

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves


Certificates of Analysis (COA)

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T Prabhu et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 78(2), 566-574 (2010-12-28)
A combined experimental and theoretical study on molecular and vibrational structure of 2,3-dimethyl naphthalene (2,3-DMN) has been undertaken in the present work. The FTIR and FT Raman spectra of 2,3-DMN were recorded in the region 4000-100 cm(-1). The optimized geometries
J Z Hu et al.
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A A Toropov et al.
European journal of medicinal chemistry, 43(4), 714-740 (2007-07-17)
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 organic compounds of different classes by optimal descriptors. Statistical characteristics of the best model (vitamins) are the

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