1H-Indole-3-carboxaldehyde,2-(4-chlorophenyl)- supplier

Name
2-(4-CHLOROPHENYL)-1H-INDOLE-3-CARBALDEHYDE
EINECS
CAS No. 1217-83-0
Article Data17
CAS DataBase
Density 1.34 g/cm³
Solubility at 25 deg C (mg/L): 5.916
Melting Point
Formula C₁₅H₁₀ClNO
Boiling Point 485.6 °C at 760 mmHg
Molecular Weight 255.703
Flash Point 247.5 °C
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Indole-3-carboxaldehyde,2-(p-chlorophenyl)- (7CI,8CI);2-(4-Chlorophenyl)-3-formylindole;2-(4-Chlorophenyl)-3-indolecarboxaldehyde;2-(p-Chlorophenyl)-3-formylindole;2-(4-chlorophenyl)-1H-indole-3-carbaldehyde;1H-indole-3-carboxaldehyde, 2-(4-chlorophenyl)-;
PSA 32.86000
LogP 4.30080

1H-Indole-3-carboxaldehyde,2-(4-chlorophenyl)- Specification

The 1H-Indole-3-carboxaldehyde,2-(4-chlorophenyl)-, with the CAS registry number 1217-83-0, has the systematic name of 2-(4-chlorophenyl)-1H-indole-3-carbaldehyde. And the molecular formula of the chemical is C₁₅H₁₀ClNO. What's more, while dealing with this chemical, you should avoid contacting with skin and eyes.

The characteristics of 1H-Indole-3-carboxaldehyde,2-(4-chlorophenyl)- are as followings: (1)ACD/LogP: 4.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.49; (4)ACD/LogD (pH 7.4): 4.49; (5)ACD/BCF (pH 5.5): 1519.77; (6)ACD/BCF (pH 7.4): 1519.77; (7)ACD/KOC (pH 5.5): 6593.48; (8)ACD/KOC (pH 7.4): 6593.48; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 22 Å²; (13)Index of Refraction: 1.712; (14)Molar Refractivity: 74.76 cm³; (15)Molar Volume: 190.7 cm³; (16)Polarizability: 29.64×10^-24cm³; (17)Surface Tension: 57.3 dyne/cm; (18)Density: 1.34 g/cm³; (19)Flash Point: 247.5 °C; (20)Enthalpy of Vaporization: 75.11 kJ/mol; (21)Boiling Point: 485.6 °C at 760 mmHg; (22)Vapour Pressure: 1.4E-09 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc3ccc(c2c(c1ccccc1n2)C=O)cc3
(2)InChI: InChI=1/C15H10ClNO/c16-11-7-5-10(6-8-11)15-13(9-18)12-3-1-2-4-14(12)17-15/h1-9,17H
(3)InChIKey: LISKDSDZIWRRTD-UHFFFAOYAX

Product Name

2-(4-CHLOROPHENYL)-1H-INDOLE-3-CARBALDEHYDE

1H-Indole-3-carboxaldehyde,2-(4-chlorophenyl)- Specification

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