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Basic Information
CAS No.: 672-58-2
Name: 3-(Trifluoromethyl)benzenesulfonamide
Article Data: 4
Molecular Structure:
Molecular Structure of 672-58-2 (3-(Trifluoromethyl)benzenesulfonamide)
Formula: C7H6F3NO2S
Molecular Weight: 225.191
Synonyms: m-Toluenesulfonamide,a,a,a-trifluoro- (6CI,7CI,8CI);3-(Trifluoromethyl)benzenesulfonamide;NSC54561;m-(Trifluoromethyl)benzenesulfonamide;a,a,a-Trifluoro-m-toluenesulfonamide;
EINECS: -0
Density: 1.483 g/cm3
Melting Point: 122-126 °C(lit.)
Boiling Point: 314.282 °C at 760 mmHg
Flash Point: 143.873 °C
Hazard Symbols: IrritantXi
Risk Codes: 22
Safety: 22-24/25
PSA: 68.54000
LogP: 3.13390
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Chemistry


IUPAC Name: 3-(Trifluoromethyl)benzenesulfonamide
Canonical SMILES: C1=CC(=CC(=C1)S(=O)(=O)N)C(F)(F)F
InChI: InChI=1S/C7H6F3NO2S/c8-7(9,10)5-2-1-3-6(4-5)14(11,12)13/h1-4H,(H2,11,12,13)
InChIKey: ZUTVRDMZQSHCID-UHFFFAOYSA-N
Molecular Weight: 225.18825 [g/mol]
Molecular Formula: C7H6F3NO2S
XLogP3: 1.4
H-Bond Donor: 1
H-Bond Acceptor: 6 
Product Categories: Organic Building Blocks; Sulfonamides / Sulfinamides; Sulfur Compounds 
Index of Refraction: 1.493
Molar Refractivity: 44.18 cm3
Molar Volume: 151.8 cm3
Surface Tension: 37.1 dyne/cm
Density: 1.482 g/cm3
Flash Point: 143.9 °C
Enthalpy of Vaporization: 55.54 kJ/mol
Boiling Point: 314.3 °C at 760 mmHg
Vapour Pressure: 0.000471 mmHg at 25 °C
Melting Point of Benzenesulfonamide,3-(trifluoromethyl)- (CAS NO.672-58-2): 122-126 °C(lit.)

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 22 
R22:Harmful if swallowed.
Safety Statements: 22-24/25 
S24/25:Avoid contact with skin and eyes. 
S22:Do not breathe dust.
RIDADR: 2811
WGK Germany: 3
Hazard Note: Irritant
PackingGroup: I

Specification

 Benzenesulfonamide,3-(trifluoromethyl)- (CAS NO.672-58-2), its Synonyms are a,a,a-Trifluoro-m-toluenesulfonamide ; m-(Trifluoromethyl)benzenesulfonamide ; 3-(Trifluoromethyl)benzenesulfonamide ; m-Toluenesulfonamide,a,a,a-trifluoro- (6CI,7CI,8CI) .