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4-Chloro-6-methoxyindole

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Name

4-Chloro-6-methoxyindole

EINECS N/A
CAS No. 93490-31-4 Density 1.317 g/cm3
PSA 25.02000 LogP 2.82990
Solubility N/A Melting Point N/A
Formula C9H8ClNO Boiling Point 333.9 °C at 760 mmHg
Molecular Weight 181.622 Flash Point 155.7 °C
Transport Information N/A Appearance Brown Solid
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 93490-31-4 (4-Chloro-6-methoxyindole) Hazard Symbols ToxicT
Synonyms

4-Chloro-6-methoxyindole;4-Chloro-6-methoxy-1H-indole;

Article Data 2

4-Chloro-6-methoxyindole Specification

The 4-Chloro-6-methoxyindole, with the CAS registry number 93490-31-4, has the systematic name of 4-chloro-6-methoxy-1H-indole. It belongs to the following product categories: Indoles and derivatives; Indole Derivatives; Mutagenesis Research Chemicals. And the molecular formula of the chemical is C9H8ClNO. What's more, it is a kind of toxic brown solid, so you should be cautious while dealing with it.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.82; (4)ACD/LogD (pH 7.4): 2.82; (5)ACD/BCF (pH 5.5): 82.57; (6)ACD/BCF (pH 7.4): 82.57; (7)ACD/KOC (pH 5.5): 819.75; (8)ACD/KOC (pH 7.4): 819.75; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 14.16 Å2; (13)Index of Refraction: 1.647; (14)Molar Refractivity: 50.1 cm3; (15)Molar Volume: 137.8 cm3; (16)Polarizability: 19.86×10-24cm3; (17)Surface Tension: 48.2 dyne/cm; (18)Density: 1.317 g/cm3; (19)Flash Point: 155.7 °C; (20)Enthalpy of Vaporization: 55.39 kJ/mol; (21)Boiling Point: 333.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000258 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1cc(OC)cc2c1ccn2
(2)InChI: InChI=1/C9H8ClNO/c1-12-6-4-8(10)7-2-3-11-9(7)5-6/h2-5,11H,1H3
(3)InChIKey: ROZQWTXWGPFHST-UHFFFAOYAV

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