(1-Methyl-1H-1,2,4-triazol-3-yl)methanol supplier

Name
(1-Methyl-1H-[1,2,4]triazol-3-yl)-methanol
EINECS
CAS No. 135242-93-2
Article Data3
CAS DataBase
Density 1.336 g/cm³
Solubility
Melting Point
Formula C₄H₇N₃O
Boiling Point 296.847 °C at 760 mmHg
Molecular Weight 113.119
Flash Point 133.329 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (1-Methyl-1H-1,2,4-triazol-3-yl)methanol;(1-Methyl-1H-[1,2,4]triazol-3-yl)-methanol;
PSA 50.94000
LogP -0.69260

(1-Methyl-1H-1,2,4-triazol-3-yl)methanol Specification

The 1H-1,2,4-Triazole-3-methanol, 1-methyl-, with the CAS registry number 135242-93-2, is also known as (1-Methyl-1H-[1,2,4]triazol-3-yl)-methanol. This chemical's molecular formula is C₄H₇N₃O and molecular weight is 113.12. What's more, its systematic name is (1-methyl-1H-1,2,4-triazol-3-yl)methanol.

Physical properties of 1H-1,2,4-Triazole-3-methanol, 1-methyl- are: (1)ACD/LogP: -1.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4; (8)ACD/KOC (pH 7.4): 4; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 50.94 Å²; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 29.157 cm³; (15)Molar Volume: 84.682 cm³; (16)Polarizability: 11.559×10^-24cm³; (17)Surface Tension: 50.531 dyne/cm; (18)Density: 1.336 g/cm³; (19)Flash Point: 133.329 °C; (20)Enthalpy of Vaporization: 56.672 kJ/mol; (21)Boiling Point: 296.847 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OCc1ncn(n1)C
(2)InChI: InChI=1S/C4H7N3O/c1-7-3-5-4(2-8)6-7/h3,8H,2H2,1H3
(3)InChIKey: WEDYTSQNYJKOPC-UHFFFAOYSA-N

Product Name

(1-Methyl-1H-[1,2,4]triazol-3-yl)-methanol

(1-Methyl-1H-1,2,4-triazol-3-yl)methanol Specification

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