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D9671

Sigma-Aldrich

3,6-Diphenyl-1,2,4,5-tetrazine

~98%

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About This Item

Empirical Formula (Hill Notation):
C14H10N4
CAS Number:
6830-78-0
Molecular Weight:
234.26
MDL number:
MFCD00023646
UNSPSC Code:
12352100

Assay

~98%

mp

198 °C (dec.) (lit.)

SMILES string

c1ccc(cc1)-c2nnc(nn2)-c3ccccc3

InChI

1S/C14H10N4/c1-3-7-11(8-4-1)13-15-17-14(18-16-13)12-9-5-2-6-10-12/h1-10H

InChI key

XAUWSIIGUUMHQQ-UHFFFAOYSA-N

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Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Precautionary Statements

P261 - P305 + P351 + P338

Hazard Classifications

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

Storage Class Code

13 - Non Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Certificates of Analysis (COA)

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Guo-Wu Rao et al.
Bioorganic & medicinal chemistry letters, 16(14), 3702-3705 (2006-05-20)
Fourteen compounds of 3,6-disubstituted-1,4-dihydro-1,2,4,5-tetrazine derivatives were prepared and their structures were confirmed by single-crystal X-ray diffraction and the semi-empirical calculation of PM3 method. This reaction yields the 1,4-dihydro derivatives rather than the 1,2-dihydro derivatives. The central six-membered ring of 1,4-dihydro-1,2,4,5-tetrazine

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