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Cas Database |
| Name |
1-Methyl-1H-1,2,4-triazole |
EINECS | 676-652-0 |
| CAS No. | 6086-21-1 | Density | 1.17 g/cm3 |
| PSA | 30.71000 | LogP | -0.18490 |
| Solubility | N/A | Melting Point |
16 °C |
| Formula | C3H5N3 | Boiling Point | 175.3 °C at 760 mmHg |
| Molecular Weight | 83.0928 | Flash Point | 59.8 °C |
| Transport Information | N/A | Appearance | Pale-yellow liquid |
| Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi, F
|
| Synonyms |
1-Methyl-1,2,4-triazole;1-Methyl-1H-1,2,4-triazole;1-Methyltriazole; |
Article Data | 2 |
1-Methyl-1H-1,2,4-triazole Chemical Properties
IUPAC Name: 1-Methyl-1,2,4-triazole
Following is the structure of 1H-1,2,4-Triazole,1-methyl- (CAS NO.6086-21-1):
Empirical Formula: C3H5N3
Molecular Weight: 83.0919 g/mol
Molar Refractivity: 23.69 cm3
Molar Volume: 71 cm3
Density: 1.17 g/cm3
Flash Point: 59.8 °C
Melting point: 16 °C
Index of Refraction: 1.581
Surface Tension: 42.6 dyne/cm
Enthalpy of Vaporization: 41.16 kJ/mol
Boiling Point: 175.3 °C at 760 mmHg
Vapour Pressure of 1H-1,2,4-Triazole,1-methyl- (CAS NO.6086-21-1): 1.16 mmHg at 25 °C
Product Categories: Heterocyclic Compounds; Bases & Related Reagents; Heterocycles; Nucleotides
Appearance of 1H-1,2,4-Triazole,1-methyl- (CAS NO.6086-21-1): Pale-Yellow Liquid
Canonical SMILES: CN1C=NC=N1
InChI: InChI=1S/C3H5N3/c1-6-3-4-2-5-6/h2-3H,1H3
InChIKey: MWZDIEIXRBWPLG-UHFFFAOYSA-N
1-Methyl-1H-1,2,4-triazole Uses
1H-1,2,4-Triazole,1-methyl- (CAS NO.6086-21-1) can be used as an azole compound used for binding affinity with various cytochrome P 450 (CYP) proteins .
1-Methyl-1H-1,2,4-triazole Safety Profile
Hazard Codes: 
Xi,
F
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
HazardClass: IRRITANT, FLAMMABLE
1-Methyl-1H-1,2,4-triazole Specification
1H-1,2,4-Triazole,1-methyl- , its cas register number is 6086-21-1. It also can be called 1-Methyl-1H-1,2,4-triazole .
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