Product Name

  • Name

    2-(Trifluoromethyl)benzenesulfonyl chloride

  • EINECS
  • CAS No. 776-04-5
  • Article Data3
  • CAS DataBase
  • Density 1.532 g/cm3
  • Solubility
  • Melting Point 25 °C
  • Formula C7H4ClF3O2S
  • Boiling Point 266.5 °C at 760 mmHg
  • Molecular Weight 244.622
  • Flash Point 115 °C
  • Transport Information UN 3265 8/PG 2
  • Appearance clear colorless to yellow liquid
  • Safety 23-26-27-36/37/39-45
  • Risk Codes 34
  • Molecular Structure Molecular Structure of 776-04-5 (2-(Trifluoromethyl)benzenesulfonyl chloride)
  • Hazard Symbols CorrosiveC
  • Synonyms o-Toluenesulfonylchloride, a,a,a-trifluoro- (6CI,8CI);2-(Trifluoromethyl)benzene-1-sulfonyl chloride;2-(Trifluoromethyl)phenylsulfonyl chloride;Benzenesulfonylchloride, 2-(trifluoromethyl)-;
  • PSA 42.52000
  • LogP 3.71370

2-(Trifluoromethyl)benzenesulfonyl chloride Chemical Properties


IUPAC Name: 2-(Trifluoromethyl)benzenesulfonyl chloride
Canonical SMILES: C1=CC=C(C(=C1)C(F)(F)F)S(=O)(=O)Cl
InChI: InChI=1S/C7H4ClF3O2S/c8-14(12,13)6-4-2-1-3-5(6)7(9,10)11/h1-4H
InChIKey: ZIZGWNOAHUCACM-UHFFFAOYSA-N
Molecular Weight: 244.61867 [g/mol]
Molecular Formula: C7H4ClF3O2S
XLogP3-AA: 2.8
H-Bond Donor: 0
H-Bond Acceptor: 5 
Product Categories: Fluorobenzene; API intermediates; Organic Building Blocks; Sulfonyl Halides; Sulfur Compounds 
Sensitive: Moisture Sensitive 
Index of Refraction: 1.48
Molar Refractivity: 45.39 cm3
Molar Volume: 159.5 cm3
Surface Tension: 33.5 dyne/cm
Density: 1.532 g/cm3
Flash Point: 115 °C
Enthalpy of Vaporization: 48.42 kJ/mol
Boiling Point: 266.5 °C at 760 mmHg
Vapour Pressure: 0.0141 mmHg at 25 °C
Appearance: clear colorless to yellow liquid
Melting Point of 2-(Trifluoromethyl)benzenesulfonyl chloride (CAS NO.776-04-5): 25 °C

2-(Trifluoromethyl)benzenesulfonyl chloride Uses

 2-(Trifluoromethyl)benzenesulfonyl chloride (CAS NO.776-04-5) can be used in organic synthesis.

2-(Trifluoromethyl)benzenesulfonyl chloride Safety Profile

Hazard symbols is  C.
Risk statements is 34.
34:  Causes burns.
Safety statements is 23-26-27-36/37/39-45. 
S23:Do not breathe vapour. 
S27:Take off immediately all contaminated clothing.
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
36/37/39:  Wear suitable protective clothing, gloves and eye/face protection.
45:  In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).
HazardClass is 8.

2-(Trifluoromethyl)benzenesulfonyl chloride Specification

 2-(Trifluoromethyl)benzenesulfonyl chloride (CAS NO.776-04-5), its Synonyms are Benzenesulfonyl chloride, 2-(trifluoromethyl)- ; o-Trifluoromethylbenzenesulfonyl chloride ; 2-(Trifluoromethyl)benzenesulphonyl chloride 98% ; 2-Trifluoromethylbenzenesulfonyl chloride ; 2-(Trifluoromethyl)benzene-1-sulfonyl chloride .

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