5-Chloro-3-indazolecarboxylic acid supplier

Name
5-CHLORO-1H-INDAZOLE-3-CARBOXYLIC ACID
EINECS
CAS No. 1077-95-8
Article Data6
CAS DataBase
Density 1.644 g/cm³
Solubility
Melting Point 337 °C
Formula C₈H₅ClN₂O₂
Boiling Point 472.131 °C at 760 mmHg
Molecular Weight 196.593
Flash Point 239.336 °C
Transport Information
Appearance
Safety 26
Risk Codes 22-36
Molecular Structure
Hazard Symbols
Synonyms 5-Chloro-1H-indazole-3-carboxylicacid;5-Chloroindazole-3-carboxylic acid;
PSA 65.98000
LogP 1.91450

5-Chloro-3-indazolecarboxylic acid Specification

The CAS register number of 5-Chloro-3-indazolecarboxylic acid is 1077-95-8. It also can be called as 1H-Indazole-3-carboxylicacid, 5-chloro- and the IUPAC name about this chemical is 5-chloro-1H-indazole-3-carboxylic acid. It belongs to the following product categories, such as pharmacetical, Indazole and so on.

Physical properties about 5-Chloro-3-indazolecarboxylic acid are: (1)ACD/LogP: 2.57; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 65.98Å²; (10)Index of Refraction: 1.744; (11)Molar Refractivity: 48.445 cm³; (12)Molar Volume: 119.576 cm³; (13)Polarizability: 19.205x10^-24cm³; (14)Surface Tension: 84.794 dyne/cm; (15)Enthalpy of Vaporization: 77.432 kJ/mol; (16)Boiling Point: 472.131 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1Cl)c(n[nH]2)C(=O)O
(2)InChI: InChI=1/C8H5ClN2O2/c9-4-1-2-6-5(3-4)7(8(12)13)11-10-6/h1-3H,(H,10,11)(H,12,13)
(3)InChIKey: WHAJIAULUPQHHZ-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C8H5ClN2O2/c9-4-1-2-6-5(3-4)7(8(12)13)11-10-6/h1-3H,(H,10,11)(H,12,13)
(5)Std. InChIKey: WHAJIAULUPQHHZ-UHFFFAOYSA-N

Product Name

5-CHLORO-1H-INDAZOLE-3-CARBOXYLIC ACID

5-Chloro-3-indazolecarboxylic acid Specification

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