4,6-Dichloroindole supplier | CasNO.101495-18-5

Name
4,6-DICHLOROINDOLE
EINECS
CAS No. 101495-18-5
Article Data5
CAS DataBase
Density 1.479 g/cm³
Solubility
Melting Point
Formula C₈H₅Cl₂N
Boiling Point 328.146 °C at 760 mmHg
Molecular Weight 186.04
Flash Point 182.227 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Indole,4,6-dichloro- (6CI);4,6-Dichloro-1H-indole;
PSA 15.79000
LogP 3.47470

4,6-Dichloroindole Specification

The IUPAC name of 4,6-Dichloroindole is 4,6-dichloro-1H-indole. With the CAS registry number 101495-18-5, it is also named as 1H-Indole,4,6-dichloro-. The product's category is indole. Moreover, its molecular formula is C₈H₅Cl₂N and its molecular weight is 186.04.

The other characteristics of 4,6-Dichloroindole can be summarized as: (1)ACD/LogP: 4.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 205; (6)ACD/BCF (pH 7.4): 205; (7)ACD/KOC (pH 5.5): 1573; (8)ACD/KOC (pH 7.4): 1573; (9)H bond acceptors: 1; (10)H bond donors: 1; (11)Freely Rotating Bonds: 0; (12)Polar Surface Area: 15.79 Å²; (13)Index of Refraction: 1.695; (14)Molar Refractivity: 48.319 cm³; (15)Molar Volume: 125.773 cm³; (16)Polarizability: 19.155×10^-24cm³; (17)Surface Tension: 54.959 dyne/cm; (18)Density: 1.479 g/cm³; (19)Flash Point: 182.227 °C; (20)Enthalpy of Vaporization: 54.785 kJ/mol; (21)Boiling Point: 328.146 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:Clc2cc1nccc1c(Cl)c2
(2)InChI:InChI=1/C8H5Cl2N/c9-5-3-7(10)6-1-2-11-8(6)4-5/h1-4,11H
(3)InChIKey:NIXGYRHZQFZCCV-UHFFFAOYAF
(4)Std. InChI:InChI=1S/C8H5Cl2N/c9-5-3-7(10)6-1-2-11-8(6)4-5/h1-4,11H
(5)Std. InChIKey:NIXGYRHZQFZCCV-UHFFFAOYSA-N

Product Name

4,6-DICHLOROINDOLE

4,6-Dichloroindole Specification

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