Methyl 5-amino-1H-1,2,4-triazole-3-carboxylate supplier

Name
Methyl 5-amino-1H-1,2,4-triazole-3-carboxylate
EINECS 222-869-7
CAS No. 3641-14-3
Article Data7
CAS DataBase
Density 1.506 g/cm³
Solubility
Melting Point 218-222 °C(lit.)
Formula C₄H₆N₄O₂
Boiling Point 379 °C at 760 mmHg
Molecular Weight 142.117
Flash Point 183 °C
Transport Information
Appearance
Safety 36/37
Risk Codes 43
Molecular Structure
Hazard Symbols Xi
Synonyms s-Triazole-3-carboxylicacid, 5-amino-, methyl ester (7CI,8CI);3-Amino-5-(methoxycarbonyl)-1,2,4-triazole;NSC 139097;
PSA 93.89000
LogP -0.24530

Methyl 5-amino-1H-1,2,4-triazole-3-carboxylate Specification

The Methyl 5-amino-1H-1,2,4-triazole-3-carboxylate, with the CAS registry number 3641-14-3, is also known as 1H-1,2,4-Triazole-3-carboxylic acid, 5-amino-, methyl ester. It belongs to the product categories of Building Blocks; Heterocyclic Building Blocks; Triazoles. Its EINECS registry number is 222-869-7. This chemical's molecular formula is C₄H₆N₄O₂ and molecular weight is 142.12. Its IUPAC name is called methyl 3-amino-1H-1,2,4-triazole-5-carboxylate.

Physical properties of Methyl 5-amino-1H-1,2,4-triazole-3-carboxylate: (1)ACD/LogP: -0.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.93; (4)ACD/LogD (pH 7.4): -0.96; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7.45; (8)ACD/KOC (pH 7.4): 6.97; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.613; (13)Molar Refractivity: 32.87 cm³; (14)Molar Volume: 94.3 cm³; (15)Surface Tension: 84.1 dyne/cm; (16)Density: 1.505 g/cm³; (17)Flash Point: 183 °C; (18)Enthalpy of Vaporization: 62.69 kJ/mol; (19)Boiling Point: 379 °C at 760 mmHg; (20)Vapour Pressure: 6.06E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It also may cause sensitisation by skin contact. Whenever you will contact it, please wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC(=O)C1=NC(=NN1)N
(2)InChI: InChI=1S/C4H6N4O2/c1-10-3(9)2-6-4(5)8-7-2/h1H3,(H3,5,6,7,8)
(3)InChIKey: OSZNPKRMPBUQLB-UHFFFAOYSA-N

Product Name

Methyl 5-amino-1H-1,2,4-triazole-3-carboxylate

Methyl 5-amino-1H-1,2,4-triazole-3-carboxylate Specification

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