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4-Chlorocinnoline

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Name

4-Chlorocinnoline

EINECS N/A
CAS No. 5152-84-1 Density 1.35 g/cm3
PSA 25.78000 LogP 2.28320
Solubility N/A Melting Point 76-77℃
Formula C8H5ClN2 Boiling Point 301.66 °C at 760 mmHg
Molecular Weight 164.594 Flash Point 164.657 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 5152-84-1 (4-CHLORO-CINNOLINE) Hazard Symbols N/A
Synonyms

4-chlorocinnoline;

Article Data 12

4-Chlorocinnoline Specification

The CAS register number of 4-Chlorocinnoline is 5152-84-1. The systematic name about this chemical is 4-chlorocinnoline. The molecular formula about this chemical is C8H5ClN2 and the molecular weight is 164.5917.

Physical properties about 4-Chlorocinnoline are: (1)ACD/LogP: 1.73; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 8; (5)ACD/BCF (pH 7.4): 8; (6)ACD/KOC (pH 5.5): 161; (7)ACD/KOC (pH 7.4): 161; (8)#H bond acceptors: 2; (9)Polar Surface Area: 25.78 Å2; (10)Index of Refraction: 1.663; (11)Molar Refractivity: 45.173 cm3; (12)Molar Volume: 121.948 cm3; (13)Polarizability: 17.908x10-24cm3; (14)Surface Tension: 57.134 dyne/cm; (15)Density: 1.35 g/cm3; (16)Flash Point: 164.657 °C; (17)Enthalpy of Vaporization: 52.016 kJ/mol; (18)Boiling Point: 301.66 °C at 760 mmHg; (19)Vapour Pressure: 0.002 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c2ccccc2nnc1
(2)InChI: InChI=1/C8H5ClN2/c9-7-5-10-11-8-4-2-1-3-6(7)8/h1-5H
(3)InChIKey: IJSFFUOWXQRDMS-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C8H5ClN2/c9-7-5-10-11-8-4-2-1-3-6(7)8/h1-5H
(5)Std. InChIKey: IJSFFUOWXQRDMS-UHFFFAOYSA-N

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