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CAS No.: | 24974-72-9 |
---|---|
Name: | (3-Fluoro-phenyl)-methanesulfonyl chloride |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C7H6ClFO2S |
Molecular Weight: | 208.641 |
Synonyms: | a-Toluenesulfonylchloride, m-fluoro- (8CI);(3-Fluorophenyl)methanesulfonyl chloride;3-Fluorobenzenemethanesulfonyl chloride; |
Density: | 1.465 g/cm3 |
Melting Point: | 39 °C |
Boiling Point: | 285.889 °C at 760 mmHg |
Flash Point: | 126.702 °C |
Hazard Symbols: | C; Xi |
Risk Codes: | 22 |
PSA: | 42.52000 |
LogP: | 2.97510 |
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The CAS registry number of Benzenemethanesulfonylchloride,3-fluoro- is 24974-72-9. The IUPAC name is (3-fluorophenyl)methanesulfonyl chloride. In addition, the molecular formula is C7H6ClFO2S and the molecular weight is 208.6377. It is a kind of corrosive and irritant chemical.
Physical properties of Benzenemethanesulfonylchloride, 3-fluoro-: (1)ACD/LogP: 2.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.06; (4)ACD/LogD (pH 7.4): 2.06; (5)ACD/BCF (pH 5.5): 21.78; (6)ACD/BCF (pH 7.4): 21.78; (7)ACD/KOC (pH 5.5): 315.8; (8)ACD/KOC (pH 7.4): 315.8; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 42.52 Å2; (13)Index of Refraction: 1.546; (14)Molar Refractivity: 45.14 cm3; (15)Molar Volume: 142.3 cm3; (16)Polarizability: 17.89 ×10-24cm3; (17)Surface Tension: 47 dyne/cm; (18)Density: 1.465 g/cm3; (19)Flash Point: 126.7 °C; (20)Enthalpy of Vaporization: 50.39 kJ/mol; (21)Boiling Point: 285.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0047 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(ccc1)CS(Cl)(=O)=O
(2)InChI: InChI=1/C7H6ClFO2S/c8-12(10,11)5-6-2-1-3-7(9)4-6/h1-4H,5H2
(3)InChIKey: QKGIPEQAFOXGSI-UHFFFAOYAM