1H-Indazole-3-carboxylicacid, 4-chloro- supplier

Name
4-CHLORO-3-INDAZOLE CARBOXYLIC ACID
EINECS
CAS No. 10503-10-3
Density 1.644 g/cm³
Solubility
Melting Point
Formula C₈H₅ClN₂O₂
Boiling Point 472.1 °C at 760 mmHg
Molecular Weight 196.593
Flash Point 239.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Chloro-1H-indazole-3-carboxylicacid;4-Chloro-3-indazole carboxylic acid;4-Chloro-1H-indazole-3-carboxylic acid;
PSA 65.98000
LogP 1.91450

1H-Indazole-3-carboxylicacid, 4-chloro- Specification

The 1H-Indazole-3-carboxylicacid, 4-chloro-, with the CAS registry number 10503-10-3, has the systmatic name of 4-chloro-1H-indazole-3-carboxylic acid. It is also called 4-Chloro-3-indazole carboxylic acid. And the molecular formula of this chemical is C₈H₅ClN₂O₂.

The physical properties of 1H-Indazole-3-carboxylicacid, 4-chloro-are as following: (1)ACD/LogP: 2.09; (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): 1.9; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 65.98 Å²; (11)Index of Refraction: 1.744; (12)Molar Refractivity: 48.44 cm³; (13)Molar Volume: 119.5 cm³; (14)Polarizability: 19.2×10^-24cm³; (15)Surface Tension: 84.7 dyne/cm; (16)Density: 1.644 g/cm³; (17)Flash Point: 239.3 °C; (18)Enthalpy of Vaporization: 77.43 kJ/mol; (19)Boiling Point: 472.1 °C at 760 mmHg; (20)Vapour Pressure: 1.02E-09 mmHg at 25°C.

Uses of 1H-Indazole-3-carboxylicacid, 4-chloro-: It can react with 1-benzyl-4-methyl-[1,4]diazepan-6-ylamine to produce 4-chloro-1H-indazole-3-carboxylic acid (1-benzyl-4-methyl-[1,4]diazepan-6-yl)-amide. This reaction will need reagent 1-ethyl-3-<3-(dimethylamino)propyl>carbodiimide hydrochloride, and the solvent CH₂Cl₂. And the yield is about 58%.
1H-Indazole-3-carboxylicacid, 4-chloro- can react with 1-benzyl-4-methyl-[1,4]diazepan-6-ylamine to produce 4-chloro-1H-indazole-3-carboxylic acid (1-benzyl-4-methyl-[1,4]diazepan-6-yl)-amide

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c2nnc1cccc(Cl)c12
(2)InChI: InChI=1/C8H5ClN2O2/c9-4-2-1-3-5-6(4)7(8(12)13)11-10-5/h1-3H,(H,10,11)(H,12,13)
(3)InChIKey: NKNNSGQMRFCVRC-UHFFFAOYAK

Product Name

4-CHLORO-3-INDAZOLE CARBOXYLIC ACID

1H-Indazole-3-carboxylicacid, 4-chloro- Specification

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