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2H-Tetrazole,5-(triphenylmethyl)- (109652-10-0)

Identification
Name:2H-Tetrazole,5-(triphenylmethyl)-
Synonyms:Tetrazole,5-trityl- (6CI);
CAS:109652-10-0
Molecular Formula: C20H16N4
Molecular Weight: 312.37
InChI: InChI=1/C20H16N4/c1-4-10-16(11-5-1)20(19-21-23-24-22-19,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,(H,21,22,23,24)
Molecular Structure: (C20H16N4) Tetrazole,5-trityl- (6CI);
Properties
Melting Point: 140-142 oC
Flash Point: 234.9°C
Boiling Point: 522.1°C at 760 mmHg
Density:1.23g/cm3
Refractive index:1.65
Appearance:White crystal powder
Specification:

The 5-Triphenylmethyl-1H-tetrazole with the cas number 109652-10-0, is also called 5-trityl-tetrazole. The IUPAC name is 5-trityl-2H-tetrazole. Its molecular formula is C20H16N4. This chemical is White crystal powder. This chemical should be stored in dry and cool environment.

Properties Computed from Structure: (1)XLogP3-AA 4.6 ; (2)H-Bond Donor: 1; (3)H-Bond Acceptor: 3; (4)Rotatable Bond Count 4; (5)Tautomer Count: 2; (6)Exact Mass: 312.137497; (7)MonoIsotopic Mass: 312.137497; (8)Topological Polar Surface Area: 54.5; (9)Heavy Atom Count: 24; (10)Formal Charge: 0; (11)Complexity: 336; (12)Isotope Atom Count: 0; (13)Defined Atom StereoCenter Count: 0; (14)Undefined Atom StereoCenter Count: 0; (15)Defined Bond StereoCenter Count: 0; (16)Undefined Bond StereoCenter Count: 0; (17)Covalently-Bonded Unit Count: 1.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=NNN=N4
(2)InChI: InChI=1S/C20H16N4/c1-4-10-16(11-5-1)20(19-21-23-24-22-19,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,(H,21,22,23,24) 
(3)InChIKey: ABPZRLQZVHPPCT-UHFFFAOYSA-N

Flash Point: 234.9°C
Safety Data
 

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