3-(2-Thienyl)-1H-pyrazole-5-carboxylic acid supplier

Name
5-THIEN-2-YL-4H-PYRAZOLE-3-CARBOXYLIC ACID
EINECS
CAS No. 182415-24-3
Article Data2
CAS DataBase
Density 1.514 g/cm³
Solubility
Melting Point 226 - 227oC
Formula C₈H₆N₂O₂S
Boiling Point 509.4 °C at 760 mmHg
Molecular Weight 194.214
Flash Point 261.8 °C
Transport Information
Appearance Pale yellow.
Safety 22-26-36/37/39
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms 3-(2-Thienyl)pyrazole-5-carboxylicacid;
PSA 94.22000
LogP 1.83640

3-(2-Thienyl)-1H-pyrazole-5-carboxylic acid Specification

The 1H-Pyrazole-3-carboxylicacid, 5-(2-thienyl)-, with the CAS registry number 182415-24-3, is also known as 3-Thien-2-yl-1H-pyrazole-5-carboxylic acid. It belongs to the product categories of Carboxylic Acids; Pyrazoles & Triazoles. This chemical's molecular formula is C₈H₆N₂O₂S and molecular weight is 194.21. Its IUPAC name is called 5-thiophen-2-yl-1H-pyrazole-3-carboxylic acid. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties of 1H-Pyrazole-3-carboxylicacid, 5-(2-thienyl)-: (1)ACD/LogP: 1.74; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 3.3; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Index of Refraction: 1.683; (10)Molar Refractivity: 48.68 cm³; (11)Molar Volume: 128.2 cm³; (12)Surface Tension: 76.7 dyne/cm; (13)Density: 1.514 g/cm³; (14)Flash Point: 261.8 °C; (15)Enthalpy of Vaporization: 82.12 kJ/mol; (16)Boiling Point: 509.4 °C at 760 mmHg; (17)Vapour Pressure: 3.38E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CSC(=C1)C2=CC(=NN2)C(=O)O
(2)InChI: InChI=1S/C8H6N2O2S/c11-8(12)6-4-5(9-10-6)7-2-1-3-13-7/h1-4H,(H,9,10)(H,11,12)
(3)InChIKey: DUDBNCNNJMOLCC-UHFFFAOYSA-N

Product Name

5-THIEN-2-YL-4H-PYRAZOLE-3-CARBOXYLIC ACID

3-(2-Thienyl)-1H-pyrazole-5-carboxylic acid Specification

Related Products

Hot Products