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Key Documents

ALD00098

Sigma-Aldrich

3,6-Bis(methoxycarbonyl)-1,2,4,5-tetrazine

Synonym(s):

Dimethyl 1,2,4,5-tetrazine-3,6-dicarboxylate

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About This Item

Empirical Formula (Hill Notation):
C6H6N4O4
CAS Number:
Molecular Weight:
198.14
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

form

crystals

storage temp.

−20°C

SMILES string

O=C(C1=NN=C(C(OC)=O)N=N1)OC

InChI

1S/C6H6N4O4/c1-13-5(11)3-7-9-4(10-8-3)6(12)14-2/h1-2H3

InChI key

QODPSGGFQFBWME-UHFFFAOYSA-N

Application

Tetrazine has shown to be a versatile building block as a substrate in inverse elecron demand hetero Diels-Alder reactions. The Boger group has reported this powerful approach in the synthesis of alkaloids.

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable


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