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| CAS No.: | 130820-88-1 |
|---|---|
| Name: | 4-PYRIDINEMETHANESULFONYL CHLORIDE |
| Molecular Structure: | |
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| Formula: | C6H6ClNO2S |
| Molecular Weight: | 191.638 |
| Synonyms: | PYRIDIN-4-YL-METHANESULFONYL CHLORIDE;4-PYRIDINEMETHANESULFONYL CHLORIDE;4-PyridylMethanesulfonyl chloride |
| Density: | 1.458 g/cm3 |
| Boiling Point: | 327.1 °C at 760 mmHg |
| Flash Point: | 151.6 °C |
| Hazard Symbols: | Xi |
| Risk Codes: | 36 |
| Safety: | 26 |
| PSA: | 55.41000 |
| LogP: | 2.23100 |
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Specification
The 4-Pyridinemethanesulfonylchloride has CAS registry number 130820-88-1. Its molecular formula is C6H6ClNO2S and molecular weight is 191.64. What's more, its systematic name is Pyridin-4-ylmethanesulfonyl chloride.
Physical properties about the 4-Pyridinemethanesulfonylchloride are: (1)ACD/LogP: 0.52; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 55.41 Å2; (7)Index of Refraction: 1.565; (8)Molar Refractivity: 42.83 cm3; (9)Molar Volume: 131.3 cm3; (10)Surface Tension: 56.2 dyne/cm; (11)Density: 1.458 g/cm3; (12)Flash Point: 151.6 °C; (13)Enthalpy of Vaporization: 54.67 kJ/mol; (14)Boiling Point: 327.1 °C at 760 mmHg; (15)Vapour Pressure: 0.000394 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=S(Cl)(=O)Cc1ccncc1
(2) InChI: InChI=1/C6H6ClNO2S/c7-11(9,10)5-6-1-3-8-4-2-6/h1-4H,5H2
(3) InChIKey: GSXAZLRAMNDMDB-UHFFFAOYAD