Product Name

  • Name

    4-CHLOROINDOLE-3-CARBOXYLIC ACID

  • EINECS
  • CAS No. 23872-36-8
  • Density 1.548 g/cm3
  • Solubility
  • Melting Point
  • Formula C9H6ClNO2
  • Boiling Point 449.7 °C at 760 mmHg
  • Molecular Weight 195.605
  • Flash Point 225.8 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 23872-36-8 (4-CHLOROINDOLE-3-CARBOXYLIC ACID)
  • Hazard Symbols
  • Synonyms 4-CHLOROINDOLE-3-CARBOXYLIC ACID;4-chloro-1H-indole-3-carboxylic acid;1H-INDOLE-3-CARBOXYLIC ACID,4-CHLORO;4-chloro-3-indolecarboxylic acid
  • PSA 53.09000
  • LogP 2.51950

4-Chloro-indole-3-carboxylic acid Specification

The 4-Chloro-indole-3-carboxylic acid is an organic compound with the formula C9H6ClNO2. The IUPAC name of this chemical is 4-chloro-1H-indole-3-carboxylic acid. With the CAS registry number 23872-36-8, it is also named as 1H-indole-3-carboxylic acid, 4-chloro-. The product's category is

Pharmacetical.Physical properties about 4-Chloro-indole-3-carboxylic acid are: (1)ACD/LogP: 2.58; (2)ACD/LogD (pH 5.5): 0.78; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 53.09 Å2; (7)Index of Refraction: 1.728; (8)Molar Refractivity: 50.35 cm3; (9)Molar Volume: 126.3 cm3; (10)Polarizability: 19.96×10-24cm3; (11)Surface Tension: 72.5 dyne/cm; (12)Density: 1.548 g/cm3; (13)Flash Point: 225.8 °C; (14)Enthalpy of Vaporization: 74.66 kJ/mol; (15)Boiling Point: 449.7 °C at 760 mmHg; (16)Vapour Pressure: 7.12E-09 mmHg at 25°C.

Preparation of 4-Chloro-indole-3-carboxylic acid: this chemical can be prepared by 4-chloro-indole-3-carbaldehyde. This reaction will need reagent soddium chlorite, 2-methylbutene. The yield is about 93%.

4-Chloro-indole-3-carboxylic acid can be prepared by 4-chloro-indole-3-carbaldehyde

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c2cnc1cccc(Cl)c12
(2)InChI: InChI=1/C9H6ClNO2/c10-6-2-1-3-7-8(6)5(4-11-7)9(12)13/h1-4,11H,(H,12,13)
(3)InChIKey: DRKHLIJRUYVIOY-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C9H6ClNO2/c10-6-2-1-3-7-8(6)5(4-11-7)9(12)13/h1-4,11H,(H,12,13)
(5)Std. InChIKey: DRKHLIJRUYVIOY-UHFFFAOYSA-N

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