CAS No.3453-83-6,2-Mesitylenesulfonyl chloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3453-83-6
Name:	2-Mesitylenesulfonyl chloride
Article Data:	36

Formula:	C₉H₁₂O₃S
Molecular Weight:	200.258
Synonyms:	2-Mesitylenesulfonicacid (6CI,7CI,8CI);2,4,6-Trimethylbenzenesulfonic acid;Mesitylenesulfonicacid;Mesitylsulfonic acid;NSC 5233;
EINECS:	212-257-8
Density:	1.243 g/cm³
Melting Point:	55-57 °C(lit. )
Flash Point:	>230 °F
Hazard Symbols:	C
Risk Codes:	34
Safety:	22-26-27-36/37/39-45
Transport Information:	UN 3261
PSA:	62.75000
LogP:	2.93930

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Specification

The Benzenesulfonic acid, 2, 4, 6-trimethyl-, with the CAS registry number of 3453-83-6, is also known as 2-Mesitylenesulfonyl chloride and 2, 4 ,6-Trimethylbenzylsulfonyl chloride. It belongs to the product category of Aromatic Hydrocarbons (substituted) & Derivatives. Its EINECS registry number is 212-257-8. This chemical's molecular formula is C₉H₁₂O₃S and molecular weight is 200.26. What's more, its IUPAC name is 2, 4, 6-Trimethylbenzenesulfonic acid. In addition, it must be stored in airtight containers and placed in a dry, ventilated place at 2-8 °C. Meanwhile, it should avoid contact with light.

Physical properties about Benzenesulfonic acid, 2, 4, 6-trimethyl- are: (1)ACD/LogP: 1.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.65; (4)ACD/LogD (pH 7.4): -1.65; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 51.75 Å²; (13)Index of Refraction: 1.545; (14)Molar Refractivity: 50.97 cm³; (15)Molar Volume: 161 cm³; (16)Polarizability: 20.2×10^-24 cm³; (17)Surface Tension: 44.1 dyne/cm; (18)Density: 1.243 g/cm³; (19)Melting Point: 55-57 °C(lit. ).

Preparation: this chemical is prepared by 2, 4, 6-Trimethyl-1-benzolsulfonsaeure-trimethylsilylester. The reaction needs reagent HCl. The reaction time is 0.3 hour with reaction temperature of 0 °C. The yield is about 96 %.

Uses: it is used to produce other chemicals. For example, it is used to produce 2, 4, 6-Trimethyl-benzenesulfonic acid 2-cyclohexyl-2-oxo-ethyl ester. The yield is about 68 %.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause burns on contact. In addition, the dust of this chemical can not be breathed. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of 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: O=S(=O)(O)c1c(cc(cc1C)C)C
(2) InChI: InChI=1/C9H12O3S/c1-6-4-7(2)9(8(3)5-6)13(10,11)12/h4-5H,1-3H3,(H,10,11,12)
(3) InChIKey: LXFQSRIDYRFTJW-UHFFFAOYAU