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Cas Database |
| Name |
4-(Trifluoromethyl)benzenesulfonamide |
EINECS | 212-596-1 |
| CAS No. | 830-43-3 | Density | 1.482 g/cm3 |
| PSA | 68.54000 | LogP | 3.13390 |
| Solubility | N/A | Melting Point |
175-180 °C(lit.) |
| Formula | C7H6F3NO2S | Boiling Point | 304.8 °C at 760 mmHg |
| Molecular Weight | 225.191 | Flash Point | 138.1 °C |
| Transport Information | N/A | Appearance | Colorless to yellow liquid |
| Safety | 22-24/25 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
p-Toluenesulfonamide,a,a,a-trifluoro- (6CI,7CI,8CI);p-Trifluoromethylbenzenesulfonamide;a,a,a-Trifluoro-p-toluenesulfonamide; |
Article Data | 20 |
4-(Trifluoromethyl)benzenesulfonamide Chemical Properties
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IUPAC Name: 4-(Trifluoromethyl)benzenesulfonamide
Canonical SMILES: C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)N
InChI: InChI=1S/C7H6F3NO2S/c8-7(9,10)5-1-3-6(4-2-5)14(11,12)13/h1-4H,(H2,11,12,13)
InChIKey: TVHXQQJDMHKGGK-UHFFFAOYSA-N
Molecular Weight: 225.18825 [g/mol]
Molecular Formula: C7H6F3NO2S
XLogP3: 1.3
H-Bond Donor: 1
H-Bond Acceptor: 6
EINECS: 212-596-1
Product Categories: API intermediates; 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: 138.1 °C
Enthalpy of Vaporization: 54.52 kJ/mol
Boiling Point: 304.8 °C at 760 mmHg
Vapour Pressure: 0.000854 mmHg at 25°C
Appearance: light brown powder
Melting Point: 175-180 °C(lit.)
Classification Code of Benzenesulfonamide,4-(trifluoromethyl)- (CAS NO.830-43-3): Drug / Therapeutic Agent
4-(Trifluoromethyl)benzenesulfonamide Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 533mg/kg (533mg/kg) | Journal of Medicinal Chemistry. Vol. 8, Pg. 548, 1965. |
4-(Trifluoromethyl)benzenesulfonamide Safety Profile
Hazard Codes: 
Xi
Safety Statements: 22-24/25
S22:Do not breathe dust.
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
RTECS: DB3200000
Hazard Note: Irritant
HazardClass: IRRITANT
4-(Trifluoromethyl)benzenesulfonamide Specification
Benzenesulfonamide,4-(trifluoromethyl)- (CAS NO.830-43-3), its Synonyms are p-(Trifluoromethyl)benzenesulfonamide ; alpha,alpha,alpha-Trifluoro-p-toluenesulphonamide .
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