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Cas Database |
| Name |
3,5-Dimethyl-1H-1,2,4-triazole |
EINECS | N/A |
| CAS No. | 7343-34-2 | Density | 1.119 g/cm3 |
| PSA | 41.57000 | LogP | 0.42150 |
| Solubility | N/A | Melting Point |
139.0 to 144.0 °C |
| Formula | C4H7N3 | Boiling Point | 255.4 °C at 760 mmHg |
| Molecular Weight | 97.1197 | Flash Point | 123.8 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | 22 | |
| Molecular Structure |
|
Hazard Symbols | Xn |
| Synonyms |
s-Triazole,3,5-dimethyl- (6CI,7CI,8CI);3,5-Dimethyl-1,2,4-triazole; |
Article Data | 1 |
3,5-Dimethyl-1H-1,2,4-triazole Chemical Properties
Molecule structure of 1H-1,2,4-Triazole, 3,5-dimethyl- (CAS NO.7343-34-2):
IUPAC Name: 3,5-Dimethyl-1H-1,2,4-triazole
Molecular Weight: 97.11848 g/mol
Molecular Formula: C4H7N3
Density: 1.119 g/cm3
Boiling Point: 255.4 °C at 760 mmHg
Flash Point: 123.8 °C
Index of Refraction: 1.523
Molar Refractivity: 26.51 cm3
Molar Volume: 86.7 cm3
Polarizability: 10.51×10-24 cm3
Surface Tension: 49.8 dyne/cm
Enthalpy of Vaporization: 49.28 kJ/mol
Vapour Pressure: 0.0164 mmHg at 25 °C
XLogP3-AA: 0.8
H-Bond Donor :1
H-Bond Acceptor: 2
Tautomer Count: 2
Exact Mass: 97.063997
MonoIsotopic Mass: 97.063997
Topological Polar Surface Area: 41.6
Heavy Atom Count: 7
Canonical SMILES: CC1=NC(=NN1)C
InChI: InChI=1S/C4H7N3/c1-3-5-4(2)7-6-3/h1-2H3,(H,5,6,7)
InChIKey of 1H-1,2,4-Triazole, 3,5-dimethyl- (CAS NO.7343-34-2): XYYXDARQOHWBPO-UHFFFAOYSA-N
3,5-Dimethyl-1H-1,2,4-triazole Specification
1H-1,2,4-Triazole, 3,5-dimethyl- (CAS NO.7343-34-2) is also named as 3,5-Dimethyl-1H-1,2,4-triazole ; 4H-1,2,4-triazole, 3,5-dimethyl- ; 3,5-dimethyl-4H-1,2,4-triazole .
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