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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

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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.

Signal Word

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 Code

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

WGK

WGK 3

Certificates of Analysis (COA)

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