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1096-80-6

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Basic Information
CAS No.: 1096-80-6
Name: 2,3,5-TRIPHENYLTETRAZOLIUM BROMIDE
Molecular Structure:
Molecular Structure of 1096-80-6 (2,3,5-TRIPHENYLTETRAZOLIUM BROMIDE)
Formula: C19H15BrN4
Molecular Weight: 379.259
Synonyms: 2,3,5-Triphenyl-2H-tetrazol-3-ium bromide;
EINECS: 214-144-9
Melting Point: 206-209?°C
Boiling Point: 210?°C(lit.)
Flash Point: 150?°F
Hazard Symbols: F,Xi
Risk Codes: 22-36/37/38
Safety: 26-36
PSA: 34.59000
LogP: 0.21500
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Specification

The 2H-Tetrazolium,2,3,5-triphenyl-, bromide (1:1), with the CAS registry number of 1096-80-6, is also known as 2,3,5-Triphenyl-2H-tetrazol-3-ium bromide. It belongs to the product categories of Tetrazolium Salts; Tetrazolium Salts & Formazans. Its EINECS registry number is 214-144-9. Its molecular formula is C19H15BrN4 and molecular weight is 379.25. What's more, its IUPAC name is 2,3,5-Triphenyltetrazol-2-ium bromide.

Physical properties about the 2H-Tetrazolium,2,3,5-triphenyl-, bromide (1:1) are: (1)#H bond acceptors: 4; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 34.59 Å2.

You can still convert the following datas into molecular structure:
(1) SMILES: [Br-].n2[n+](c1ccccc1)n(nc2c3ccccc3)c4ccccc4
(2) InChI: InChI=1/C19H15N4.BrH/c1-4-10-16(11-5-1)19-20-22(17-12-6-2-7-13-17)23(21-19)18-14-8-3-9-15-18;/h1-15H;1H/q+1;/p-1
(3) InChIKey: YZSUTKMFUHJPNB-REWHXWOFAH