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| CAS No.: | 84468-15-5 |
|---|---|
| Name: | Isoquinoline-5-sulfonyl chloride |
| Molecular Structure: | |
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| Formula: | C9H6ClNO2S |
| Molecular Weight: | 227.671 |
| Synonyms: | 5-Isoquinolinesulfonylchloride; |
| Density: | 1.483 g/cm3 |
| Melting Point: | 173-183 °C |
| Boiling Point: | 371.2 °C at 760 mmHg |
| Flash Point: | 178.3 °C |
| Appearance: | colourless crystalline solid |
| Risk Codes: | 22-36/37/38 |
| Safety: | 26-36/37 |
| PSA: | 55.41000 |
| LogP: | 3.24310 |
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Specification
The Isoquinoline-5-sulfonyl chloride, with the CAS registry number 84468-15-5, is also known as 5-Isoquinolinesulfonyl chloride. It belongs to the product categories of Sulfonylhalide; Aromatics Compounds; Aromatics; Sulfonyl Chlorides; Sulfur & Selenium Compounds. This chemical's molecular formula is C9H6ClNO2S and molecular weight is 227.67. What's more, its systematic name is called Isoquinoline-5-sulfonyl chloride. It is colourless crystalline solid.
Physical properties about Isoquinoline-5-sulfonyl chloride are: (1) ACD/LogP: 1.73; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 3; (4) #H bond donors: 0; (5) #Freely Rotating Bonds: 1; (6) Polar Surface Area: 55.41 Å2; (7) Index of Refraction: 1.646; (8) Molar Refractivity: 55.75 cm3; (9) Molar Volume: 153.4 cm3; (10) Surface Tension: 57.5 dyne/cm; (11) Density: 1.483 g/cm3; (12) Flash Point: 178.3 °C; (13) Enthalpy of Vaporization: 59.4 kJ/mol; (14) Boiling Point: 371.2 °C at 760 mmHg; (15) Vapour Pressure: 2.23E-05 mmHg at 25 °C; (16) Melting Point: 173-183 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: ClS(=O)(=O)c1cccc2c1ccnc2
(2) InChI: InChI=1/C9H6ClNO2S/c10-14(12,13)9-3-1-2-7-6-11-5-4-8(7)9/h1-6H
(3) InChIKey: WHIDHHUCCTYJKA-UHFFFAOYAX