1H-Pyrazole-3-carboxylicacid, 1-methyl-5-(2-thienyl)- supplier

Name
1-METHYL-5-THIEN-2-YL-1H-PYRAZOLE-3-CARBOXYLIC ACID
EINECS
CAS No. 869901-15-5
Density 1.44 g/cm³
Solubility
Melting Point 156 °C
Formula C₉H₈N₂O₂S
Boiling Point 423.3 °C at 760 mmHg
Molecular Weight 208.24
Flash Point 209.8 °C
Transport Information
Appearance
Safety 26
Risk Codes 22-36
Molecular Structure
Hazard Symbols Xn
Synonyms 1-METHYL-5-THIEN-2-YL-1H-PYRAZOLE-3-CARBOXYLIC ACID;1-Methyl-5-thien-2-yl-1H-pyrazole-3-carboxylic acid 97%;1-methyl-5-(2-thienyl)-1H-pyrazole-3-carboxylic acid(SALTDATA: FREE);3-Carboxy-1-methyl-5-(thien-2-yl)-1H-pyrazole
PSA 83.36000
LogP 1.84680

1H-Pyrazole-3-carboxylicacid, 1-methyl-5-(2-thienyl)- Specification

The 1H-Pyrazole-3-carboxylicacid, 1-methyl-5-(2-thienyl)- is an organic compound with the formula C₉H₈N₂O₂S. The IUPAC name of this chemical is 1-methyl-5-thiophen-2-ylpyrazole-3-carboxylic acid. With the CAS registry number 869901-15-5, it is also named as 1-methyl-5-(2-thienyl)-1H-pyrazole-3-carboxylic acid.

Physical properties about 1H-Pyrazole-3-carboxylicacid, 1-methyl-5-(2-thienyl)- are: (1)ACD/LogP: 1.59; (2)ACD/LogD (pH 5.5): 0.22; (3)ACD/LogD (pH 7.4): -1.31; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 7.38; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 72.36 Å²; (12)Index of Refraction: 1.692; (13)Molar Refractivity: 55.26 cm³; (14)Molar Volume: 144.1 cm³; (15)Polarizability: 21.9×10^-24cm³; (16)Surface Tension: 58.9 dyne/cm; (17)Density: 1.44 g/cm³; (18)Flash Point: 209.8 °C; (19)Enthalpy of Vaporization: 71.44 kJ/mol; (20)Boiling Point: 423.3 °C at 760 mmHg; (21)Vapour Pressure: 6.38E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2nn(c(c1sccc1)c2)C
(2)InChI: InChI=1/C9H8N2O2S/c1-11-7(8-3-2-4-14-8)5-6(10-11)9(12)13/h2-5H,1H3,(H,12,13)
(3)InChIKey: URCWVEMABYSGJA-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C9H8N2O2S/c1-11-7(8-3-2-4-14-8)5-6(10-11)9(12)13/h2-5H,1H3,(H,12,13)
(5)Std. InChIKey: URCWVEMABYSGJA-UHFFFAOYSA-N

Product Name

1-METHYL-5-THIEN-2-YL-1H-PYRAZOLE-3-CARBOXYLIC ACID

1H-Pyrazole-3-carboxylicacid, 1-methyl-5-(2-thienyl)- Specification

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