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CAS No.: | 5152-84-1 |
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Name: | 4-CHLORO-CINNOLINE |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C8H5ClN2 |
Molecular Weight: | 164.594 |
Synonyms: | 4-chlorocinnoline; |
Density: | 1.35 g/cm3 |
Melting Point: | 76-77℃ |
Boiling Point: | 301.66 °C at 760 mmHg |
Flash Point: | 164.657 °C |
PSA: | 25.78000 |
LogP: | 2.28320 |
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