Name: 4-CHLORO-2,5-DIMETHYLBENZENESULFONYL CHLORIDE
SKU: 88-49-3

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Basic Information

Molecular Structure:
CAS No.:	88-49-3
Name:	4-CHLORO-2,5-DIMETHYLBENZENESULFONYL CHLORIDE

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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Specification

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