1H-Benzotriazole


Chemical Name: 1H-Benzotriazole
CAS Number: 95-14-7
Product Number: AG0032RO(AGN-PC-0OO1R6)
Synonyms:
MDL No:
Molecular Formula: C6H5N3
Molecular Weight: 119.1240

Identification/Properties


Properties
MP:
97-99 °C(lit.)
BP:
276.1 °C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5589 (estimate)
Solubility:
19g/l
Computed Properties
Molecular Weight:
119.127g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
119.048g/mol
Monoisotopic Mass:
119.048g/mol
Topological Polar Surface Area:
41.6A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
92.5
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#:
-
Hazard Statements:
H302+H332-H319-H412
Precautionary Statements:
P273-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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