-
Name
2-FLUORO-4-METHYLBENZENESULFONYL CHLORIDE
- EINECS
- CAS No. 518070-29-6
- Density 1.423 g/cm3
- Solubility
- Melting Point
- Formula C7H6ClFO2S
- Boiling Point 257.3 °C at 760 mmHg
- Molecular Weight 208.641
- Flash Point 109.4 °C
- Transport Information
- Appearance
- Safety 26
- Risk Codes 36
-
Molecular Structure
-
Hazard Symbols
C
- Synonyms 2-Fluoro-4-methylbenzenesulfonylchloride;2-fluoro-4-methylbenzenesulfonyl chloride;2-Fluor-4-methylbenzolsulfonylchlorid;2-fluoro-4-methylbenzene-1-sulfonyl chloride;Benzenesulfonyl chloride, 2-fluoro-4-methyl-;chloro(2-fluoro-4-methylphenyl)sulfone;
- PSA 42.52000
- LogP 3.14240
Benzenesulfonylchloride, 2-fluoro-4-methyl- Specification
The Benzenesulfonylchloride, 2-fluoro-4-methyl-, with the CAS registry number 518070-29-6, has the systematic name of 2-fluoro-4-methylbenzenesulfonyl chloride. It belongs to the following product categories: Fluoro-contained benzenesulfonyl chloride series; Sulfonylhalide. And the molecular formula of the chemical is C7H6ClFO2S.
The characteristics of Benzenesulfonylchloride, 2-fluoro-4-methyl- are as followings: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.26; (4)ACD/LogD (pH 7.4): 2.26; (5)ACD/BCF (pH 5.5): 30.63; (6)ACD/BCF (pH 7.4): 30.63; (7)ACD/KOC (pH 5.5): 403.06; (8)ACD/KOC (pH 7.4): 403.06; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 42.52 Å2; (13)Index of Refraction: 1.528; (14)Molar Refractivity: 45.13 cm3; (15)Molar Volume: 146.5 cm3; (16)Polarizability: 17.89×10-24cm3; (17)Surface Tension: 39.6 dyne/cm; (18)Density: 1.423 g/cm3; (19)Flash Point: 109.4 °C; (20)Enthalpy of Vaporization: 47.48 kJ/mol; (21)Boiling Point: 257.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0236 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(Cl)(=O)c1ccc(cc1F)C
(2)InChI: InChI=1/C7H6ClFO2S/c1-5-2-3-7(6(9)4-5)12(8,10)11/h2-4H,1H3
(3)InChIKey: SDBFDPOFXLVGQF-UHFFFAOYAD
Related Products
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