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Basic Information
CAS No.: 1513-45-7
Name: 4-(Trifluoromethoxy)benzenesulfonamide
Article Data: 4
Molecular Structure:
Molecular Structure of 1513-45-7 (4-(Trifluoromethoxy)benzenesulfonamide)
Formula: C7H6F3NO3S
Molecular Weight: 241.191
Synonyms: Benzenesulfonamide,p-(trifluoromethoxy)- (6CI,7CI,8CI);4-[(Trifluoromethyl)oxy]benzenesulfonamide;
EINECS: -0
Density: 1.519 g/cm3
Melting Point: 146-148 °C(lit.)
Boiling Point: 301.8 °C at 760 mmHg
Flash Point: 136.3 °C
Hazard Symbols: IrritantXi
Risk Codes: 22
Safety: 22-36/37
PSA: 77.77000
LogP: 3.01370
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Chemistry


IUPAC Name: 4-(Trifluoromethoxy)benzenesulfonamide 
Empirical Formula: C7H6F3NO3S
Molecular Weight: 241.1876
Canonical SMILES: C1=CC(=CC=C1OC(F)(F)F)S(=O)(=O)N
InChI: InChI=1S/C7H6F3NO3S/c8-7(9,10)14-5-1-3-6(4-2-5)15(11,12)13/h1-4H,(H2,11,12,13)
InChIKey: RGOJCHYYBKMRLL-UHFFFAOYSA-N
XLogP3: 1.7
H-Bond Donor: 1
H-Bond Acceptor: 7 
Index of Refraction: 1.49
Molar Refractivity: 45.92 cm3
Molar Volume: 158.7 cm3
Surface Tension: 38.4 dyne/cm
Density: 1.519 g/cm3
Flash Point: 136.3 °C
Enthalpy of Vaporization: 54.2 kJ/mol
Boiling Point: 301.8 °C at 760 mmHg
Vapour Pressure: 0.00103 mmHg at 25 °C
Product Categories: Organic Building Blocks; Sulfonamides/Sulfinamides; Sulfur Compounds
Melting Point of 4-(Trifluoromethoxy)benzenesulfonamide (CAS NO.1513-45-7): 146-148 °C(lit.)

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 22 
R22:Harmful if swallowed.
Safety Statements: 22-36/37 
S22:Do not breathe dust. 
S36/37:Wear suitable protective clothing and gloves.
WGK Germany: 3
Hazard of 4-(Trifluoromethoxy)benzenesulfonamide (CAS NO.1513-45-7): Note Irritant

Specification

  4-(Trifluoromethoxy)benzenesulfonamide (CAS NO.1513-45-7), its Synonyms are 4-Trifluoromethoxybenzenesulphonamide ; Benzenesulfonamide, 4-(trifluoromethoxy)- ; 4-Difluoromethoxy benzene sulfamide ; 4-Trifluoro methoxybenzenesulphonamide .