2H-Pyrazole-3-carboxylic acid supplier

Name
2H-PYRAZOLE-3-CARBOXYLIC ACID
EINECS
CAS No. 797027-83-9
Article Data50
CAS DataBase
Density 1.524 g/cm³
Solubility
Melting Point
Formula C₄H₄N₂O₂
Boiling Point 417.1 °C at 760 mmHg
Molecular Weight 112.088
Flash Point 206.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Pyrazole-5-carboxylic acid;3-Carboxypyrazole;
PSA
LogP

2H-Pyrazole-3-carboxylic acid Specification

The 2H-Pyrazole-3-carboxylic acid with the CAS number 797027-83-9 is also called 3-Carboxypyrazole. The systematic name is 1H-pyrazole-3-carboxylic acid. Its molecular formula is C₄H₄N₂O₂. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 2H-Pyrazole-3-carboxylic acid are: (1)ACD/LogP: -0.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.73; (4)ACD/LogD (pH 7.4): -3.03; (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: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 44.12 Å²; (13)Index of Refraction: 1.616; (14)Molar Refractivity: 25.7 cm³; (15)Molar Volume: 73.5 cm³; (16)Polarizability: 10.19×10^-24cm³; (17)Surface Tension: 84.9 dyne/cm; (18)Enthalpy of Vaporization: 70.69 kJ/mol; (19)Vapour Pressure: 1.05×10^-7 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccnn1
(2)InChI: InChI=1/C4H4N2O2/c7-4(8)3-1-2-5-6-3/h1-2H,(H,5,6)(H,7,8)
(3)InChIKey: KOPFEFZSAMLEHK-UHFFFAOYAF

Product Name

2H-PYRAZOLE-3-CARBOXYLIC ACID

2H-Pyrazole-3-carboxylic acid Specification

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