-
Name
4]triazole-3-carboxylic acid methyl ester
- EINECS
- CAS No. 57226-96-7
- Article Data5
- CAS DataBase
- Density 1.272 g/cm3
- Solubility
- Melting Point
- Formula C10H9N3O2
- Boiling Point 363.693 °C at 760 mmHg
- Molecular Weight 203.2
- Flash Point 173.756 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 4]triazole-3-carboxylic acid methyl ester;
- PSA 57.01000
- LogP 1.05390
1-Phenyl-1H-[1,2,4]triazole-3-carboxylic acid methyl ester Specification
The 1-Phenyl-1H-[1,2,4]triazole-3-carboxylic acid methyl ester ,its cas register number is 57226-96-7. It also can be called as 4]triazole-3-carboxylic acid methyl ester and the Systematic name about this chemicals is methyl 1-phenyl-1H-1,2,4-triazole-3-carboxylate .
Following are the chemical properties about 1-Phenyl-1H-[1,2,4]triazole-3-carboxylic acid methyl ester :(1)#H bond acceptors: 5 ; (2)#H bond donors: 0 ; (3)#Freely Rotating Bonds: 3 ; (4)Polar Surface Area: 57.01 Å2 ; (5)Index of Refraction: 1.614; (6)Molar Refractivity: 55.651 cm3 ; (7)Molar Volume: 159.688 cm3 ; (8)Surface Tension: 48.686 dyne/cm; (9)Enthalpy of Vaporization: 60.978 kJ/mol
This chemicals can be described computed from structure:
(1)SMILES: COC(=O)c1ncn(n1)c2ccccc2
(2)InChI: InChI=1/C10H9N3O2/c1-15-10(14)9-11-7-13(12-9)8-5-3-2-4-6-8/h2-7H,1H3
(3)InChIKey: RZRJXKHAJZSLIP-UHFFFAOYAJ
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