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| CAS No.: | 151858-64-9 |
|---|---|
| Name: | 5-(2-PYRIDYL)THIOPHENE-2-SULFONYL CHLORIDE |
| Molecular Structure: | |
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| Formula: | C9H6ClNO2S2 |
| Molecular Weight: | 259.737 |
| Synonyms: | 2-(2-Pyridyl)thiophene-5-sulfonylchloride;5-(2-Pyridinyl)-2-thiophenesulfonyl chloride;5-(2-Pyridyl)thiophene-2-sulfonylchloride;5-(2-Pyridyl)thiophene-2-sulphonyl chloride;2-Thiophenesulfonyl chloride, 5-(2-pyridinyl)-;5-(pyridin-2-yl)thiophene-2-sulfonyl chloride; |
| Density: | 1.492 g/cm3 |
| Melting Point: | 87-90°C |
| Boiling Point: | 412.5 °C at 760 mmHg |
| Flash Point: | 203.3 °C |
| Hazard Symbols: |
 Xi;  C
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39 |
| PSA: | 83.65000 |
| LogP: | 3.81840 |
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Specification
The 2-Thiophenesulfonylchloride, 5-(2-pyridinyl)-, with the CAS registry number 151858-64-9, has the systematic name of 5-pyridin-2-ylthiophene-2-sulfonyl chloride. It belongs to the following product categories: Sulphonyl Chlorides; Thiophenes & Benzothiophenes. And the molecular formula of this chemical is C9H6ClNO2S2.
The physical properties of 2-Thiophenesulfonylchloride, 5-(2-pyridinyl)- are as following: (1)ACD/LogP: 2.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.6; (4)ACD/LogD (pH 7.4): 2.6; (5)ACD/BCF (pH 5.5): 54.97; (6)ACD/BCF (pH 7.4): 56.06; (7)ACD/KOC (pH 5.5): 609.18; (8)ACD/KOC (pH 7.4): 621.25; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 83.65 Å2; (13)Index of Refraction: 1.618; (14)Molar Refractivity: 61.04 cm3; (15)Molar Volume: 174 cm3; (16)Polarizability: 24.2×10-24cm3; (17)Surface Tension: 55.2 dyne/cm; (18)Density: 1.492 g/cm3; (19)Flash Point: 203.3 °C; (20)Enthalpy of Vaporization: 63.93 kJ/mol; (21)Boiling Point: 412.5 °C at 760 mmHg; (22)Vapour Pressure: 1.23E-06 mmHg at 25°C.
You should be cautious while dealing with this chemical. It may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(Cl)(=O)c2sc(c1ncccc1)cc2
(2)InChI: InChI=1/C9H6ClNO2S2/c10-15(12,13)9-5-4-8(14-9)7-3-1-2-6-11-7/h1-6H
(3)InChIKey: OGOMWPWAEIDEOU-UHFFFAOYAD