5-Iodo-1H-1,2,4-triazole-3-carboxylic acid supplier

Name
5-Iodo-1H-1,2,4-triazole-3-carboxylic acid
EINECS
CAS No. 36033-56-4
Density 2.691 g/cm³
Solubility
Melting Point
Formula C₃H₂IN₃O₂
Boiling Point 508.206 °C at 760 mmHg
Molecular Weight 238.9714
Flash Point 261.154 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-1,2,4-Triazole-3-carboxylic acid, 5-iodo-;
PSA 78.87000
LogP 0.10750

5-Iodo-1H-1,2,4-triazole-3-carboxylic acid Specification

The IUPAC name of this chemical is 5-Iodo-1H-1,2,4-triazole-3-carboxylic acid. With the CAS registry number 36033-56-4, it is also named as 1H-1,2,4-Triazole-3-carboxylic acid,5-iodo-. In addition, the formula is C₃H₂IN₃O₂ and the molecular weight is 238.9714.

Physical properties about 5-Iodo-1H-1,2,4-triazole-3-carboxylic acid are: (1)ACD/LogP: 0.98; (2)# of Rule of 5 Violations: 0 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 78.87 Å²; (11)Index of Refraction: 1.765; (12)Molar Refractivity: 36.705 cm³; (13)Molar Volume: 88.806 cm³; (14)Polarizability: 14.551 ×10^-24cm³; (15)Surface Tension: 118.352 dyne/cm; (16)Density: 2.691 g/cm³; (17)Flash Point: 261.154 °C; (18)Enthalpy of Vaporization: 81.97 kJ/mol; (19)Boiling Point: 508.206 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1(nc([nH]n1)I)C(=O)O
(2)InChI: InChI=1/C3H2IN3O2/c4-3-5-1(2(8)9)6-7-3/h(H,8,9)(H,5,6,7)
(3)InChIKey: VCGRXXVCZWEAOO-UHFFFAOYAF

Product Name

5-Iodo-1H-1,2,4-triazole-3-carboxylic acid

5-Iodo-1H-1,2,4-triazole-3-carboxylic acid Specification

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