1H-Tetrazole, 5-phenyl-


Chemical Name: 1H-Tetrazole, 5-phenyl-
CAS Number: 18039-42-4
Product Number: AG0021YW(AGN-PC-0O53WO)
Synonyms:
MDL No: MFCD00022388
Molecular Formula: C7H6N4
Molecular Weight: 146.1493

Identification/Properties


Properties
MP:
216 °C (dec.)(lit.)
BP:
330.5°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.6530 (estimate)
Computed Properties
Molecular Weight:
146.153g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
146.059g/mol
Monoisotopic Mass:
146.059g/mol
Topological Polar Surface Area:
54.5A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
122
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:
Danger
UN#:
1325
Hazard Statements:
H228-H302
Precautionary Statements:
P210-P240-P241-P264-P270-P280-P301+P312+P330-P370+P378-P403-P501
Class:
4.1
Packing Group:

NMR Spectrum


Other Analytical Data


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