3-Chloro-7-nitroindole supplier

Name
3-CHLORO-7-NITRO-1H-INDOLE
EINECS
CAS No. 165669-14-7
Article Data5
CAS DataBase
Density 1.564 g/cm³
Solubility
Melting Point
Formula C₈H₅ClN₂O₂
Boiling Point 395.7 °C at 760 mmHg
Molecular Weight 196.593
Flash Point 193.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Chloro-7-nitro-1H-indole;3-Chloro-7-nitroindole;1H-Indole, 3-chloro-7-nitro-;
PSA 61.61000
LogP 3.25270

3-Chloro-7-nitroindole Specification

The 3-Chloro-7-nitroindole, with the cas registry number 165669-14-7, has the systematic name of 3-chloro-7-nitro-1H-indole. It belongs to the following product category of Indole. And the molecular formula of the chemical is C₈H₅ClN₂O₂.

The characteristics of this chemical are as followings: (1)ACD/LogP: 3.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.23; (4)ACD/LogD (pH 7.4): 3.23; (5)ACD/BCF (pH 5.5): 167.08; (6)ACD/BCF (pH 7.4): 167.08; (7)ACD/KOC (pH 5.5): 1357.64; (8)ACD/KOC (pH 7.4): 1357.62; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 50.75 Å²; (13)Index of Refraction: 1.726; (14)Molar Refractivity: 49.96 cm³; (15)Molar Volume: 125.6 cm³; (16)Polarizability: 19.8×10^-24cm³; (17)Surface Tension: 68.9 dyne/cm; (18)Density: 1.564 g/cm³; (19)Flash Point: 193.1 °C; (20)Enthalpy of Vaporization: 62.07 kJ/mol; (21)Boiling Point: 395.7 °C at 760 mmHg; (22)Vapour Pressure: 4.1E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [O-][N+](=O)c1cccc2c1ncc2Cl
(2)InChI: InChI=1/C8H5ClN2O2/c9-6-4-10-8-5(6)2-1-3-7(8)11(12)13/h1-4,10H
(3)InChIKey: QDGYVAQMPDTWIE-UHFFFAOYAQ

Product Name

3-CHLORO-7-NITRO-1H-INDOLE

3-Chloro-7-nitroindole Specification

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