4-Chloro-1H-indole-2-carboxylic acid supplier

Name
4-chloro-1H-indole-2-carboxylic acid
EINECS 246-364-6
CAS No. 24621-73-6
Article Data5
CAS DataBase
Density 1.548 g/cm³
Solubility
Melting Point 259-260 °C
Formula C₉H₆ClNO₂
Boiling Point 449.7 ºCat 760 mmHg
Molecular Weight 195.605
Flash Point 225.8 ºC
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Indole-2-carboxylicacid, 4-chloro- (6CI,8CI);4-Chloro-1H-indole-2-carboxylic acid;4-Chloroindole-2-carboxylic acid;NSC 148347;
PSA 53.09000
LogP 2.51950

4-Chloro-1H-indole-2-carboxylic acid Specification

The IUPAC name of 4-Chloro-1H-indole-2-carboxylic acid is 4-chloro-1H-indole-2-carboxylic acid. With the CAS registry number 24621-73-6, it is also named as 1H-Indole-2-carboxylicacid, 4-chloro-. The product's EINECS is 246-364-6, its molecular formula is C₉H₆ClNO₂ and its molecular weight is 195.60.

The other characteristics of 4-Chloro-1H-indole-2-carboxylic acid can be summarized as: (1)ACD/LogP: 2.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.5; (4)ACD/LogD (pH 7.4): -0.01; (5)ACD/BCF (pH 5.5): 3.74; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 35.71; (8)ACD/KOC (pH 7.4): 1.1; (9)H bond acceptors: 3; (10)H bond donors: 2; (11)Freely Rotating Bonds: 1; (12)Polar Surface Area: 31.23 Å²; (13)Index of Refraction: 1.728; (14)Molar Refractivity: 50.35 cm³; (15)Molar Volume: 126.3 cm³; (16)Polarizability: 19.96×10^-24cm³; (17)Surface Tension: 72.5 dyne/cm; (18)Density: 1.548 g/cm³; (19)Flash Point: 225.8 °C; (20)Enthalpy of Vaporization: 74.66 kJ/mol; (21)Boiling Point: 449.7 °C at 760 mmHg; (22)Vapour Pressure: 7.12E-09 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
SMILES:Clc1cccc2c1cc(C(=O)O)n2
InChI:InChI=1/C9H6ClNO2/c10-6-2-1-3-7-5(6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13)
InChIKey:VXZHQADIRFFCMJ-UHFFFAOYAO
Std. InChI:InChI=1S/C9H6ClNO2/c10-6-2-1-3-7-5(6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13)
Std. InChIKey:VXZHQADIRFFCMJ-UHFFFAOYSA-N

Product Name

4-chloro-1H-indole-2-carboxylic acid

4-Chloro-1H-indole-2-carboxylic acid Specification

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