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616478

Sigma-Aldrich

2,6-Dinitrotoluene-α,α,α-d3

98 atom % D, 98% (CP)

Synonym(s):

2,6-Dinitrotoluene-(methyl-d3)

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About This Item

Empirical Formula (Hill Notation):
C7D3H3N2O4
CAS Number:
93951-90-7
Molecular Weight:
185.15
MDL number:
MFCD00142848
UNSPSC Code:
12352116
PubChem Substance ID:
24874814
NACRES:
NA.12

isotopic purity

98 atom % D

Quality Level

200

Assay

98% (CP)

form

solid

mp

56-61 °C (lit.)

mass shift

M+3

SMILES string

[2H]C([2H])([2H])c1c(cccc1[N+]([O-])=O)[N+]([O-])=O

InChI

1S/C7H6N2O4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3/i1D3

InChI key

XTRDKALNCIHHNI-FIBGUPNXSA-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.

Pictograms

Skull and crossbonesHealth hazard
GHS06,GHS08

Signal Word

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Aquatic Chronic 3 - 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

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
MBBB3677V
EB2779
EB0673
EW1513
EW0492

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