D9671
3,6-Diphenyl-1,2,4,5-tetrazine
~98%
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About This Item
Empirical Formula (Hill Notation):
C14H10N4
CAS Number:
Molecular Weight:
234.26
UNSPSC Code:
12352100
MDL number:
InChI key
XAUWSIIGUUMHQQ-UHFFFAOYSA-N
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
SMILES string
c1ccc(cc1)-c2nnc(nn2)-c3ccccc3
assay
~98%
mp
198 °C (dec.) (lit.)
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signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Storage Class
13 - Non Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
Regulatory Information
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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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