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| CAS No.: | 61563-36-8 |
|---|---|
| Name: | 7,8-Dichloroisoquinoline |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C9H5Cl2N |
| Molecular Weight: | 198.051 |
| Synonyms: | 7,8-Dichloroisoquinoline; |
| Density: | 1.407 g/cm3 |
| Melting Point: | 89-92 °C |
| Boiling Point: | 327 °C at 760 mmHg |
| Flash Point: | 181.5 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 12.89000 |
| LogP: | 3.54160 |
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Specification
The Isoquinoline, 7, 8-dichloro-, with the CAS registry number of 61563-36-8, is also known as 7, 8-Dichloroisoquinoline 98 %. It belongs to the product categories of Blocks; Heterocycles; Quinolines; Quinoline&Isoquinoline. This chemical's molecular formula is C9H5Cl2N and molecular weight is 198.0487. What's more, its systematic name is called 7, 8-Dichloroisoquinoline. Besides, it should be stored at refrigeration.
Physical properties about Isoquinoline, 7, 8-dichloro- are: Physical properties about are: (1)ACD/LogP: 3.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.01; (4)ACD/LogD (pH 7.4): 3.02; (5)ACD/BCF (pH 5.5): 113.76; (6)ACD/BCF (pH 7.4): 116.52; (7)ACD/KOC (pH 5.5): 1023.94; (8)ACD/KOC (pH 7.4): 1048.83; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.66; (14)Molar Refractivity: 51.97 cm3; (15)Molar Volume: 140.6 cm3; (16)Polarizability: 20.6×10-24 cm3; (17)Surface Tension: 51.5 dyne/cm; (18)Density: 1.407 g/cm3; (19)Flash Point: 181.5 °C; (20)Enthalpy of Vaporization: 54.66 kJ/mol; (21)Boiling Point: 327 °C at 760 mmHg; (22)Vapour Pressure: 0.000396 mmHg at 25 °C; (23)Melting Point: 89-92 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1c2cnccc2ccc1Cl
(2) InChI: InChI=1/C9H5Cl2N/c10-8-2-1-6-3-4-12-5-7(6)9(8)11/h1-5H
(3) InChIKey: MYYHZQIWSAUHJB-UHFFFAOYAU