Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
(3-Fluoro-phenyl)-methanesulfonyl chloride |
EINECS | N/A |
CAS No. | 24974-72-9 | Density | 1.465 g/cm3 |
PSA | 42.52000 | LogP | 2.97510 |
Solubility | N/A | Melting Point |
39 °C |
Formula | C7H6ClFO2S | Boiling Point | 285.889 °C at 760 mmHg |
Molecular Weight | 208.641 | Flash Point | 126.702 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | 22 | |
Molecular Structure | Hazard Symbols | C; Xi | |
Synonyms |
a-Toluenesulfonylchloride, m-fluoro- (8CI);(3-Fluorophenyl)methanesulfonyl chloride;3-Fluorobenzenemethanesulfonyl chloride; |
Article Data | 6 |
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