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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 | Hazard Symbols | N/A | |
Synonyms |
4-chlorocinnoline; |
Article Data | 12 |
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