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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 (CAS NO.776-04-5) can be used in organic synthesis.
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 (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 .