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Benzenesulfonyl chloride, 2,3,5,6-tetramethyl-

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Name

Benzenesulfonyl chloride, 2,3,5,6-tetramethyl-

EINECS N/A
CAS No. 60706-63-0 Density 1.217 g/cm3
PSA 42.52000 LogP 3.92850
Solubility N/A Melting Point 97-101 °C
Formula C10H13ClO2S Boiling Point 343.8 °C at 760 mmHg
Molecular Weight 232.731 Flash Point 161.7 °C
Transport Information 3261 Appearance white to pale cream crystalline powder
Safety 45-36/37/39-26 Risk Codes 34-29
Molecular Structure Molecular Structure of 60706-63-0 (2,3,5,6-TETRAMETHYLBENZENESULFONYL CHLORIDE) Hazard Symbols CorrosiveC
Synonyms

2,3,5,6-Tetramethylbenzenesulfonylchloride;

Article Data 5

Benzenesulfonyl chloride, 2,3,5,6-tetramethyl- Specification

This chemical is called Benzenesulfonyl chloride, 2,3,5,6-tetramethyl-, and its CAS registry number is 60706-63-0. With the molecular formula of C10H13ClO2S, its product category is Sulfonylhalide. In addition, this chemical should be sealed in the cool and dry place, away from oxides, alkali, active metal and water.

Other characteristics of the Benzenesulfonyl chloride, 2,3,5,6-tetramethyl- can be summarised as followings: (1)ACD/LogP: 3.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.83; (4)ACD/LogD (pH 7.4): 3.83; (5)ACD/BCF (pH 5.5): 477.46; (6)ACD/BCF (pH 7.4): 477.46; (7)ACD/KOC (pH 5.5): 2878.62; (8)ACD/KOC (pH 7.4): 2878.62; (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: 1.528; (14)Molar Refractivity: 58.89 cm3; (15)Molar Volume: 191.1 cm3; (16)Polarizability: 23.34×10-24cm3; (17)Surface Tension: 38.1 dyne/cm; (18)Density: 1.217 g/cm3; (19)Flash Point: 161.7 °C; (20)Enthalpy of Vaporization: 56.44 kJ/mol; (21)Boiling Point: 343.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000137 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical causes burns. It liberates toxic gas if contacting with water. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: ClS(=O)(=O)c1c(c(cc(c1C)C)C)C
2.InChI: InChI=1/C10H13ClO2S/c1-6-5-7(2)9(4)10(8(6)3)14(11,12)13/h5H,1-4H3
3.InChIKey: ZCXRROBIIMQMHR-UHFFFAOYAW

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