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4-Pyridinemethanesulfonylchloride

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Name

4-Pyridinemethanesulfonylchloride

EINECS N/A
CAS No. 130820-88-1 Density 1.458 g/cm3
PSA 55.41000 LogP 2.23100
Solubility N/A Melting Point N/A
Formula C6H6ClNO2S Boiling Point 327.1 °C at 760 mmHg
Molecular Weight 191.638 Flash Point 151.6 °C
Transport Information N/A Appearance N/A
Safety 26 Risk Codes 36
Molecular Structure Molecular Structure of 130820-88-1 (4-PYRIDINEMETHANESULFONYL CHLORIDE) Hazard Symbols Xi
Synonyms

PYRIDIN-4-YL-METHANESULFONYL CHLORIDE;4-PYRIDINEMETHANESULFONYL CHLORIDE;4-PyridylMethanesulfonyl chloride

 

4-Pyridinemethanesulfonylchloride 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

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