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244171

Sigma-Aldrich

1-(p-Toluenesulfonyl)-3-nitro-1,2,4-triazole

98%

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About This Item

Empirical Formula (Hill Notation):
C9H8N4O4S
CAS Number:
77451-51-5
Molecular Weight:
268.25
MDL number:
MFCD00009756
UNSPSC Code:
12352100
PubChem Substance ID:
24854656
NACRES:
NA.22

assay

98%

form

solid

mp

133-135 °C (lit.)

storage temp.

−20°C

SMILES string

Cc1ccc(cc1)S(=O)(=O)n2cnc(n2)[N+]([O-])=O

InChI

1S/C9H8N4O4S/c1-7-2-4-8(5-3-7)18(16,17)12-6-10-9(11-12)13(14)15/h2-6H,1H3

InChI key

ZQMJAWSQRGYFBM-UHFFFAOYSA-N

Application

1-(p-Toluenesulfonyl)-3-nitro-1,2,4-triazole may be used in chemical synthesis studies.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
04906JV
07819LL
07427DV

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