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CAS No.: | 88-49-3 |
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Name: | 4-CHLORO-2,5-DIMETHYLBENZENESULFONYL CHLORIDE |
Molecular Structure: | |
Formula: | C8H8Cl2O2S |
Molecular Weight: | 239.122 |
Synonyms: | 2,5-Xylenesulfonylchloride, 4-chloro- (8CI);2,5-Dimethyl-4-chlorobenzenesulfonyl chloride;4-Chloro-2,5-dimethylbenzenesulfonyl chloride;4-Chloro-2,5-xylenesulfonylchloride; |
EINECS: | 201-835-5 |
Density: | 1.401g/cm3 |
Melting Point: | 48 °C |
Boiling Point: | 317.5 °C at 760 mmHg |
Flash Point: | 145.8 °C |
Hazard Symbols: | C; Xi |
Risk Codes: | 34 |
Safety: | 26-36/37/39-45 |
PSA: | 42.52000 |
LogP: | 3.96510 |
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The Benzenesulfonylchloride, 4-chloro-2,5-dimethyl-, with CAS registry number 88-49-3, belongs to the following product category: Benzenesulfonyl chloride. It has the systematic name of 4-chloro-2,5-dimethylbenzenesulfonyl chloride. And the chemical formula of this chemical is C8H8Cl2O2S. What's more, its EINECS is 201-835-5.
Physical properties of Benzenesulfonylchloride, 4-chloro-2,5-dimethyl-: (1)ACD/LogP: 3.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.76; (4)ACD/LogD (pH 7.4): 3.76; (5)ACD/BCF (pH 5.5): 427.55; (6)ACD/BCF (pH 7.4): 427.55; (7)ACD/KOC (pH 5.5): 2659.9; (8)ACD/KOC (pH 7.4): 2659.9; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 42.52 Å2; (13)Index of Refraction: 1.551; (14)Molar Refractivity: 54.47 cm3; (15)Molar Volume: 170.5 cm3; (16)Polarizability: 21.59×10-24cm3; (17)Surface Tension: 42.6 dyne/cm; (18)Density: 1.401 g/cm3; (19)Flash Point: 145.8 °C; (20)Enthalpy of Vaporization: 53.67 kJ/mol; (21)Boiling Point: 317.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000713 mmHg at 25°C.
Uses of Benzenesulfonylchloride, 4-chloro-2,5-dimethyl-: it can be used to produce bis-(4-chloro-2,5-dimethyl-phenyl)-disulfide. This reaction will need reagents SO2, H2O, HI, <(C8H17)3NCH3>+Cl-. The yield is about 93%.
When you are using this chemical, please be cautious about it as the following:
The Benzenesulfonylchloride, 4-chloro-2,5-dimethyl- may cause burns. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(c(cc1C)S(Cl)(=O)=O)C
(2)InChI: InChI=1/C8H8Cl2O2S/c1-5-4-8(13(10,11)12)6(2)3-7(5)9/h3-4H,1-2H3
(3)InChIKey: JBYZPUBAISWVDI-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C8H8Cl2O2S/c1-5-4-8(13(10,11)12)6(2)3-7(5)9/h3-4H,1-2H3
(5)Std. InChIKey: JBYZPUBAISWVDI-UHFFFAOYSA-N