Product Name

  • Name

    4-fluoro-3-methylbenzenesulfonyl chloride

  • EINECS
  • CAS No. 629672-19-1
  • Density 1.423 g/cm3
  • Solubility
  • Melting Point 35-40℃
  • Formula C7H6ClFO2S
  • Boiling Point 287.5 °C at 760 mmHg
  • Molecular Weight 208.641
  • Flash Point 127.7 °C
  • Transport Information
  • Appearance
  • Safety 26-36/37/39-45
  • Risk Codes 34
  • Molecular Structure Molecular Structure of 629672-19-1 (4-fluoro-3-methylbenzenesulfonyl chloride)
  • Hazard Symbols C
  • Synonyms 3-Methyl-4-fluorobenzenesulfonylchloride;4-Fluoro-3-methylbenzenesulfonyl chloride;
  • PSA 42.52000
  • LogP 3.14240

4-Fluoro-3-methylbenzenesulfonyl chloride Specification

The IUPAC name of this chemical is 4-fluoro-3-methylbenzenesulfonyl chloride. With the CAS registry number 629672-19-1, it is also named as Benzenesulfonyl chloride, 4-fluoro-3-methyl-. The formula is C7H6ClFO2S and molecular weight is 208.637743.

The other characteristics of 4-Fluoro-3-methylbenzenesulfonyl chloride can be summarized as: (1)ACD/LogP: 2.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.76; (4)ACD/LogD (pH 7.4): 2.76; (5)ACD/BCF (pH 5.5): 73.86; (6)ACD/BCF (pH 7.4): 73.86; (7)ACD/KOC (pH 5.5): 756.83; (8)ACD/KOC (pH 7.4): 756.83; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.528; (13)Molar Refractivity: 45.13 cm3; (14)Molar Volume: 146.5 cm3; (15)Polarizability: 17.89×10-24 cm3; (16)Surface Tension: 39.6 dyne/cm; (17)Enthalpy of Vaporization: 50.56 kJ/mol; (18)Vapour Pressure: 0.00427 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 207.976106; (21)MonoIsotopic Mass: 207.976106; (22)Topological Polar Surface Area: 42.5; (23)Heavy Atom Count: 12; (24)Complexity: 247.

People can use the following data to convert to the molecule structure.
1. SMILES:Fc1ccc(cc1C)S(Cl)(=O)=O
2. InChI:InChI=1/C7H6ClFO2S/c1-5-4-6(12(8,10)11)2-3-7(5)9/h2-4H,1H3 
3. InChIKey:ALEQALYEZFNWOP-UHFFFAOYAH
4. Std. InChI:InChI=1S/C7H6ClFO2S/c1-5-4-6(12(8,10)11)2-3-7(5)9/h2-4H,1H3
5. Std. InChIKey:ALEQALYEZFNWOP-UHFFFAOYSA-N

Related Products

Hot Products

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View