CAS No.166964-33-6,5-CHLORO-3-METHYLBENZO[B]THIOPHENE-2-SULFONYL CHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	166964-33-6
Name:	5-CHLORO-3-METHYLBENZO[B]THIOPHENE-2-SULFONYL CHLORIDE
Article Data:	1

Formula:	C₉H₆Cl₂O₂S₂
Molecular Weight:	281.183
Synonyms:	5-Chloro-2-(chlorosulfonyl)-3-methylbenzo[b]thiophene;5-Chloro-3-methyl-1-benzothiophene-2-sulfonyl chloride;5-Chloro-3-methyl-2-benzo[b]thiophenesulfonyl chloride;5-Chloro-3-methylbenzo[b]thiophene-2-sulfonyl chloride;5-Chloro-3-methylbenzothiophene-2-sulfonyl chloride;5-Chloro-3-methylbenzo[b]thiophene-2-sulphonyl chloride;
Density:	1.58 g/cm³
Melting Point:	153 °C
Boiling Point:	414.037 °C at 760 mmHg
Flash Point:	204.202 °C
Hazard Symbols:	C
Risk Codes:	34
Safety:	26-36/37/39-45
Transport Information:	UN 3261
PSA:	70.76000
LogP:	4.87140

Country:
- China (Mainland)(24)
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Specification

This chemical is called Benzo[b]thiophene-2-sulfonylchloride, 5-chloro-3-methyl-, and its systematic name is 5-Chloro-3-methyl-1-benzothiophene-2-sulfonyl chloride. With the molecular formula of C₉H₆Cl₂O₂S₂, its molecular weight is 281.17. The CAS registry number of this chemical is 166964-33-6. Additionally, its product category is Benzenesulfonyl Chloride.

Other characteristics of the Benzo[b]thiophene-2-sulfonylchloride, 5-chloro-3-methyl- can be summarised as followings: (1)ACD/LogP: 5.20; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.2; (4)ACD/LogD (pH 7.4): 5.2; (5)ACD/BCF (pH 5.5): 5310.24; (6)ACD/BCF (pH 7.4): 5310.24; (7)ACD/KOC (pH 5.5): 16144.66; (8)ACD/KOC (pH 7.4): 16144.66; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 70.76 Å²; (13)Index of Refraction: 1.658; (14)Molar Refractivity: 65.54 cm³; (15)Molar Volume: 177.9 cm³; (16)Polarizability: 25.98×10^-24cm³; (17)Surface Tension: 56.3 dyne/cm; (18)Density: 1.58 g/cm³; (19)Flash Point: 204.2 °C; (20)Enthalpy of Vaporization: 64.1 kJ/mol; (21)Boiling Point: 414 °C at 760 mmHg; (22)Vapour Pressure: 1.1E-06 mmHg at 25°C.

Uses of this chemical: The 5-chloro-3-methylbenzo[b]thiophene-2-sulfonamide could be obtained by the reactant of Benzo[b]thiophene-2-sulfonylchloride, 5-chloro-3-methyl-. This reaction needs the reagent of liq. NH₃, and the solvent of CH₂Cl₂. The yield is 99.9 %. This reaction should be taken for 4 hours at the temperature of -78 °C.

When you are using this chemical, please be cautious about it as the following: This chemical causes burns. 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)c2sc1ccc(Cl)cc1c2C
2.InChI: InChI=1/C9H6Cl2O2S2/c1-5-7-4-6(10)2-3-8(7)14-9(5)15(11,12)13/h2-4H,1H3
3.InChIKey: JLTUANWNGKWRQO-UHFFFAOYAL