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CAS No.: | 941294-25-3 |
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Name: | 1,3-Dichloro-7-fluoroisoquinoline |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C9H4Cl2FN |
Molecular Weight: | 216.042 |
Synonyms: | 1,3-Dichloro-7-fluoroisoquinoline; |
Density: | 1.491 g/cm3 |
Boiling Point: | 332.3 °C at 760 mmHg |
Flash Point: | 154.7 °C |
Hazard Symbols: | Xi |
PSA: | 12.89000 |
LogP: | 3.68070 |
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The CAS register number of 1,3-Dichloro-7-fluoroisoquinoline is 941294-25-3. It also can be called as Isoquinoline,1,3-dichloro-7-fluoro- and the systematic name about this chemical is 1,3-dichloro-7-fluoro-isoquinoline. The molecular formula about this chemical is C9H4Cl2FN and molecular weight is 216.04. It belongs to the following product categories, such as Blocks; Heterocycles; Quinolines and so on.
Physical properties about 1,3-Dichloro-7-fluoroisoquinoline are: (1)ACD/LogP: 3.36; (2)ACD/LogD (pH 5.5): 3.36; (3)ACD/LogD (pH 7.4): 3.36; (4)#H bond acceptors: 1; (5)Polar Surface Area: 12.89Å2; (6)Index of Refraction: 1.636; (7)Molar Refractivity: 51.97 cm3; (8)Molar Volume: 144.8 cm3; (9)Polarizability: 20.6x10-24cm3; (10)Surface Tension: 49.4 dyne/cm; (11)Enthalpy of Vaporization: 55.22 kJ/mol; (12)Boiling Point: 332.3 °C at 760 mmHg; (13)Vapour Pressure: 0.000285 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(cc2c1cc(nc2Cl)Cl)F
(2)InChI: InChI=1/C9H4Cl2FN/c10-8-3-5-1-2-6(12)4-7(5)9(11)13-8/h1-4H
(3)InChIKey: RPCBWABYLPCEQX-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C9H4Cl2FN/c10-8-3-5-1-2-6(12)4-7(5)9(11)13-8/h1-4H
(5)Std. InChIKey: RPCBWABYLPCEQX-UHFFFAOYSA-N