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Pyridine-4-sulfonyl chloride

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Name

Pyridine-4-sulfonyl chloride

EINECS 200-258-5
CAS No. 134479-04-2 Density 1.489 g/cm3
PSA 55.41000 LogP 2.08990
Solubility N/A Melting Point N/A
Formula C5H4ClNO2S Boiling Point 284.162 °C at 760 mmHg
Molecular Weight 177.611 Flash Point 125.657 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 134479-04-2 (PYRIDINE-4-SULFONYL CHLORIDE) Hazard Symbols N/A
Synonyms

PYRIDINE-4-SULFONYL CHLORIDE;4-pyridyl sulfonyl chloride;4-Pyridinesulfonyl chloride;PYRIDINE-4-SULFONYL CHLORIDE HCl

Article Data 10

Pyridine-4-sulfonyl chloride Specification

The IUPAC name of this chemical is pyridine-4-sulfonyl chloride. With the CAS registry number 134479-04-2, it is also named as 4-pyridinesulfonyl chloride. The formula is C5H4ClNO2S and molecular weight is 177.60876.

The other characteristics of Pyridine-4-sulfonylchloride can be summarized as: (1)ACD/LogP: 0.06; (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: 1.553; (8)Molar Refractivity: 38.2 cm3; (9)Molar Volume: 119.313 cm3; (10)Polarizability: 15.143×10-24 cm3; (11)Surface Tension: 50.296 dyne/cm; (12)Flash Point: 125.657 °C; (13)Enthalpy of Vaporization: 50.213 kJ/mol; (14)Boiling Point: 284.162 °C at 760 mmHg; (15)Vapour Pressure: 0.005 mmHg at 25°C; (16)Rotatable Bond Count: 1; (17)Exact Mass: 176.965127; (18)MonoIsotopic Mass: 176.965127; (19)Topological Polar Surface Area: 55.4; (20)Heavy Atom Count: 10; (21)Complexity: 190.

People can use the following data to convert to the molecule structure.
1. SMILES:O=S(=O)(Cl)c1ccncc1
2. InChI:InChI=1/C5H4ClNO2S/c6-10(8,9)5-1-3-7-4-2-5/h1-4H
3. InChIKey:NHMOJCOXIZRTRR-UHFFFAOYAA
4. Std. InChI:InChI=1S/C5H4ClNO2S/c6-10(8,9)5-1-3-7-4-2-5/h1-4H
5. Std. InChIKey:NHMOJCOXIZRTRR-UHFFFAOYSA-N

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