| Identification | More | [Name]
2-(Trifluoromethyl)benzenesulfonamide | [CAS]
1869-24-5 | [Synonyms]
2-(TRIFLUOROMETHYL)BENZENESULFONAMIDE
2-(TRIFLUOROMETHYL)BENZENESULPHONAMIDE
BUTTPARK 91\08-54
(2-Trifluoromethylphenyl)-methanesulfonamide | [EINECS(EC#)]
-0 | [Molecular Formula]
C7H6F3NO2S | [MDL Number]
MFCD00042420 | [Molecular Weight]
225.19 | [MOL File]
1869-24-5.mol |
| Chemical Properties | Back Directory | [Melting point ]
180-184 °C(lit.) | [Boiling point ]
320.5±52.0 °C(Predicted) | [density ]
1.482±0.06 g/cm3(Predicted) | [Fp ]
>230 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
soluble in Methanol | [form ]
powder to crystal | [pka]
9.55±0.60(Predicted) | [color ]
White to Almost white | [BRN ]
2697078 | [InChI]
1S/C7H6F3NO2S/c8-7(9,10)5-3-1-2-4-6(5)14(11,12)13/h1-4H,(H2,11,12,13) | [InChIKey]
AFFPZJFLSDVZBV-UHFFFAOYSA-N | [SMILES]
NS(=O)(=O)c1ccccc1C(F)(F)F | [CAS DataBase Reference]
1869-24-5(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R22:Harmful if swallowed. | [Safety Statements ]
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes . | [RIDADR ]
2811 | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [REACH Registrations]
Active | [HazardClass ]
IRRITANT | [PackingGroup ]
I | [HS Code ]
29350090 | [Storage Class]
11 - Combustible Solids |
| Hazard Information | Back Directory | [Chemical Properties]
Pale yellow to off-white crystalline powder | [Synthesis]
General procedure for the synthesis of o-(trifluoromethyl)benzenesulfonamide from 2-(trifluoromethyl)benzenesulfonyl chloride:
Intermediate 1: Preparation of 2-(trifluoromethyl)benzenesulfonamide (see Scheme 3, compound XXI)
To a solution of 2-(trifluoromethyl)benzenesulfonyl chloride (5 g, 20.44 mmol, 1.00 eq.) in anhydrous THF (5.00 mL) was slowly added an ethanol solution of 2 M ammonia (71 mL) under nitrogen protection and at room temperature. The reaction mixture was stirred at room temperature for 20 hours. After completion of the reaction, the solvent was removed by evaporation and the residue was redissolved in EtOAc (150 mL) and washed sequentially with saturated aqueous NH4Cl solution (50 mL) and brine (50 mL). The organic layer was dried over anhydrous MgSO4, filtered and the solvent concentrated to give pure 2-(trifluoromethyl)benzenesulfonamide as a pale yellow solid (4.6 g, 89% yield, 98.6% HPLC purity). The compound was used directly in the next reaction without further purification.
1H NMR (300MHz, CDCl3) δ: 5.0 (m, 2H), 7.6 (m, 2H), 7.8 (m, 1H), 8.3 (m, 1H).
MS (ESI): m/z 224.1 [M-H]-. | [References]
[1] Patent: US6610853, 2003, B1
[2] Patent: WO2006/111560, 2006, A2. Location in patent: Page/Page column 48
[3] Bioorganic and Medicinal Chemistry Letters, 2014, vol. 24, # 9, p. 2222 - 2225 |
|
| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
|
| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
|