5-Chloro-3-cyanoindole supplier

Name
5-CHLORO-3-CYANOINDOLE
EINECS
CAS No. 194490-14-7
Article Data11
CAS DataBase
Density 1.41 g/cm³
Solubility
Melting Point 198-199 °C
Formula C₉H₅ClN₂
Boiling Point 383.8 °C at 760 mmHg
Molecular Weight 176.605
Flash Point 185.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Chloro-1H-indole-3-carbonitrile;5-Chloro-3-cyanoindole;
PSA 39.58000
LogP 2.69298

5-Chloro-3-cyanoindole Specification

The 5-Chloro-3-cyanoindole, with the CAS registry number 194490-14-7, is also known as 5-Chloro-3-cyanoindole. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C₉H₅ClN₂ and molecular weight is 176.60. What's more, its IUPAC name is 5-chloro-1H-indole-3-carbonitrile.

Physical properties of 5-Chloro-3-cyanoindole are: (1)ACD/LogP: 3.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.1; (4)ACD/LogD (pH 7.4): 3.1; (5)#H bond acceptors: 2; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 39.58 Å²; (9)Index of Refraction: 1.686; (10)Molar Refractivity: 47.62 cm³; (11)Molar Volume: 125.1 cm³; (12)Polarizability: 18.88×10^-24cm³; (13)Surface Tension: 65.8 dyne/cm; (14)Density: 1.41 g/cm³; (15)Flash Point: 185.9 °C; (16)Enthalpy of Vaporization: 63.24 kJ/mol; (17)Boiling Point: 383.8 °C at 760 mmHg; (18)Vapour Pressure: 4.28E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc2c(cc1)ncc2C#N
(2)Std. InChI: InChI=1S/C9H5ClN2/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5,12H
(3)Std. InChIKey: KQMMMHWMPSFPSP-UHFFFAOYSA-N

Product Name

5-CHLORO-3-CYANOINDOLE

5-Chloro-3-cyanoindole Specification

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