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616486

Sigma-Aldrich

2,4-Dinitrotoluene-3,5,6-d3

98 atom % D

Synonym(s):

6-methyl-3,5-dinitro-benzene-1,2,4-d3

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About This Item

Empirical Formula (Hill Notation):
C7D3H3N2O4
CAS Number:
93951-68-9
Molecular Weight:
185.15
MDL number:
MFCD00142828
UNSPSC Code:
12352102
PubChem Substance ID:
329759612

isotopic purity

98 atom % D

form

solid

mp

67-70 °C (lit.)

mass shift

M+3

SMILES string

[2H]c1c([2H])c(c([2H])c(c1C)[N+]([O-])=O)[N+]([O-])=O

InChI

1S/C7H6N2O4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3/i2D,3D,4D

InChI key

RMBFBMJGBANMMK-NRUYWUNFSA-N

Related Categories

Packaging

This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

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Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Carc. 1B - Muta. 2 - Repr. 2 - STOT RE 2

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk_germany

WGK 3

Certificates of Analysis (COA)

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