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CAS No.: | 134479-04-2 |
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Name: | PYRIDINE-4-SULFONYL CHLORIDE |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C5H4ClNO2S |
Molecular Weight: | 177.611 |
Synonyms: | PYRIDINE-4-SULFONYL CHLORIDE;4-pyridyl sulfonyl chloride;4-Pyridinesulfonyl chloride;PYRIDINE-4-SULFONYL CHLORIDE HCl |
EINECS: | 200-258-5 |
Density: | 1.489 g/cm3 |
Boiling Point: | 284.162 °C at 760 mmHg |
Flash Point: | 125.657 °C |
PSA: | 55.41000 |
LogP: | 2.08990 |
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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