3-Methyl-1H-1,2,4-triazole-5-acetic acid supplier

Name
(5-METHYL-2H-[1,2,4]TRIAZOL-3-YL)-ACETIC ACID
EINECS
CAS No. 720706-28-5
Density 1.441 g/cm³
Solubility
Melting Point
Formula C₅H₇N₃O₂
Boiling Point 442.4 °C at 760 mmHg
Molecular Weight 141.129
Flash Point 221.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-1,2,4-Triazole-3-aceticacid, 5-methyl- (9CI);(5-methyl-1H-1,2,4-triazol-3-yl)acetic acid;(3-Methyl-1H-1,2,4-triazol-5-yl)acetic acid;1H-1,2,4-triazole-3-acetic acid, 5-methyl-;1H-1,2,4-triazole-5-acetic acid, 3-methyl-;
PSA 78.87000
LogP -0.25980

3-Methyl-1H-1,2,4-triazole-5-acetic acid Specification

The 1H-1,2,4-Triazole-5-aceticacid, 3-methyl-, with the CAS registry number 720706-28-5, has the systematic name of (5-methyl-1H-1,2,4-triazol-3-yl)acetic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₅H₇N₃O₂.

The characteristics of 1H-1,2,4-Triazole-5-aceticacid, 3-methyl- are as followings: (1)ACD/LogP: -0.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.64; (4)ACD/LogD (pH 7.4): -4.25; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 57.01 Å²; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 32.8 cm³; (15)Molar Volume: 97.9 cm³; (16)Polarizability: 13×10^-24cm³; (17)Surface Tension: 78.2 dyne/cm; (18)Density: 1.441 g/cm³; (19)Flash Point: 221.3 °C; (20)Enthalpy of Vaporization: 73.76 kJ/mol; (21)Boiling Point: 442.4 °C at 760 mmHg; (22)Vapour Pressure: 1.33E-08 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)Cc1nc(nn1)C
(2)InChI: InChI=1/C5H7N3O2/c1-3-6-4(8-7-3)2-5(9)10/h2H2,1H3,(H,9,10)(H,6,7,8)
(3)InChIKey: RIRHAWIZPRZONH-UHFFFAOYAE

Product Name

(5-METHYL-2H-[1,2,4]TRIAZOL-3-YL)-ACETIC ACID

3-Methyl-1H-1,2,4-triazole-5-acetic acid Specification

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