1H-1,2,4-Triazole, 3,5-dimethyl-


Chemical Name: 1H-1,2,4-Triazole, 3,5-dimethyl-
CAS Number: 7343-34-2
Product Number: AG003IOD(AGN-PC-0JMQHM)
Synonyms:
MDL No:
Molecular Formula: C4H7N3
Molecular Weight: 97.1185

Identification/Properties


Properties
MP:
139.0 to 144.0 °C
BP:
255.4°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
1.5200 (estimate)
Computed Properties
Molecular Weight:
97.121g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
97.064g/mol
Monoisotopic Mass:
97.064g/mol
Topological Polar Surface Area:
41.6A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
64
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-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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