1H-Tetrazole, 5-(phenylmethyl)-


Chemical Name: 1H-Tetrazole, 5-(phenylmethyl)-
CAS Number: 18489-25-3
Product Number: AG003MEZ(AGN-PC-0O5CB6)
Synonyms:
MDL No:
Molecular Formula: C8H8N4
Molecular Weight: 160.1759

Identification/Properties


Properties
MP:
117-121℃
BP:
356.6°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
160.18g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
160.075g/mol
Monoisotopic Mass:
160.075g/mol
Topological Polar Surface Area:
54.5A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
133
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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