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4-Chloro-3-(trifluoromethyl)benzenesulfonyl chloride

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Name

4-Chloro-3-(trifluoromethyl)benzenesulfonyl chloride

EINECS 206-304-1
CAS No. 32333-53-2 Density 1.627 g/cm3
PSA 42.52000 LogP 4.36710
Solubility N/A Melting Point 28 °C
Formula C7H3Cl2F3O2S Boiling Point 288.277 °C at 760 mmHg
Molecular Weight 279.067 Flash Point 128.146 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39-45 Risk Codes 34
Molecular Structure Molecular Structure of 32333-53-2 (4-Chloro-3-(trifluoromethyl)benzenesulfonyl chloride) Hazard Symbols CorrosiveC
Synonyms

m-Toluenesulfonylchloride, 4-chloro-a,a,a-trifluoro- (8CI);4-Chloro-5-(trifluoromethyl)benzenesulfonyl chloride;

Article Data 2

4-Chloro-3-(trifluoromethyl)benzenesulfonyl chloride 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

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