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| CAS No.: | 32333-53-2 |
|---|---|
| Name: | 4-Chloro-3-(trifluoromethyl)benzenesulfonyl chloride |
| Article Data: | 2 |
| Molecular Structure: | |
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|
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| Formula: | C7H3Cl2F3O2S |
| Molecular Weight: | 279.067 |
| Synonyms: | m-Toluenesulfonylchloride, 4-chloro-a,a,a-trifluoro- (8CI);4-Chloro-5-(trifluoromethyl)benzenesulfonyl chloride; |
| EINECS: | 206-304-1 |
| Density: | 1.627 g/cm3 |
| Melting Point: | 28 °C |
| Boiling Point: | 288.277 °C at 760 mmHg |
| Flash Point: | 128.146 °C |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45 |
| PSA: | 42.52000 |
| LogP: | 4.36710 |
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Specification
The 4-Chloro-3-(trifluoromethyl)benzenesulfonyl chloride with CAS registry number of 32333-53-2 is also known as m-Toluenesulfonylchloride, 4-chloro-a,a,a-trifluoro- (8CI). The IUPAC name and product name are the same. It belongs to product categories of Fluoro-contained Benzenesulfonyl Chloride Series. In addition, the formula is C7H3Cl2F3O2S and the molecular weight is 279.06.
Physical properties about 4-Chloro-3-(trifluoromethyl)benzenesulfonyl chloride are: (1)ACD/LogP: 3.89; (2)ACD/LogD (pH 5.5): 3.89; (3)ACD/LogD (pH 7.4): 3.89; (4)ACD/BCF (pH 5.5): 528.9; (5)ACD/BCF (pH 7.4): 528.9; (6)ACD/KOC (pH 5.5): 3097.38; (7)ACD/KOC (pH 7.4): 3097.38; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.497; (11)Molar Refractivity: 50.21 cm3; (12)Molar Volume: 171.5 cm3; (13)Surface Tension: 36.3 dyne/cm; (14)Density: 1.626 g/cm3; (15)Flash Point: 128.1 °C; (16)Enthalpy of Vaporization: 50.63 kJ/mol; (17)Boiling Point: 288.3 °C at 760 mmHg; (18)Vapour Pressure: 0.00409 mmHg at 25 °C.
When you are using this chemical, please be cautious about it. As a chemical, it can cause burns. During using it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell seek medical advice immediately.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC(=C(C=C1S(=O)(=O)Cl)C(F)(F)F)Cl
2. InChI: InChI=1S/C7H3Cl2F3O2S/c8-6-2-1-4(15(9,13)14)3-5(6)7(10,11)12/h1-3H
3. InChIKey: SSULGNXFUGLULI-UHFFFAOYSA-N