CAS No.112160-39-1,2,2,5,7,8-Pentamethylchroman-6-sulfonyl chloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	112160-39-1
Name:	2,2,5,7,8-Pentamethylchroman-6-sulfonyl chloride
Article Data:	5

Formula:	C₁₄H₁₉ClO₃S
Molecular Weight:	302.822
Synonyms:	2,2,5,7,8-Pentamethylchroman-6-sulfonylchloride;2,2,5,7,8-Pentamethylchroman-6-ylsulfonyl chloride;
Density:	1.205 g/cm³
Melting Point:	77-82 °C
Boiling Point:	410.9 °C at 760 mmHg
Flash Point:	202.3 °C
Hazard Symbols:	C
Risk Codes:	34
Safety:	26-36/37/39-45
PSA:	51.75000
LogP:	4.72370

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- China (Mainland)(26)
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Specification

The 2,2,5,7,8-Pentamethylchroman-6-sulfonyl chloride, with the CAS registry number 112160-39-1, is also known as 2H-1-Benzopyran-6-sulfonyl chloride, 3,4-dihydro-2,2,5,7,8-pentamethyl-. This chemical's molecular formula is C₁₄H₁₉ClO₃S and molecular weight is 302.82. Its systematic name is called 2,2,5,7,8-pentamethyl-3,4-dihydro-2H-chromene-6-sulfonyl chloride.

Physical properties of 2,2,5,7,8-Pentamethylchroman-6-sulfonyl chloride: (1)ACD/LogP: 5.68; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.68; (4)ACD/LogD (pH 7.4): 5.68; (5)ACD/BCF (pH 5.5): 12206.65; (6)ACD/BCF (pH 7.4): 12206.65; (7)ACD/KOC (pH 5.5): 29293.71; (8)ACD/KOC (pH 7.4): 29293.71; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.526; (13)Molar Refractivity: 77.11 cm³; (14)Molar Volume: 251.2 cm³; (15)Surface Tension: 37.3 dyne/cm; (16)Density: 1.205 g/cm³; (17)Flash Point: 202.3 °C; (18)Enthalpy of Vaporization: 63.75 kJ/mol; (19)Boiling Point: 410.9 °C at 760 mmHg; (20)Vapour Pressure: 1.39E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by 2,2,5,7,8-Pentamethyl-chroman. This reaction will need reagent ClSO₃H and solvent CHCl₃. The yield is about 53%.

Uses of 2,2,5,7,8-Pentamethylchroman-6-sulfonyl chloride: it can be used to produce 2,2,5,7,8-pentamethyl-chroman-6-sulfonic acid benzylamide at temperature of 0 °C. This reaction will need reagent triethylamine and solvent CH₂Cl₂ with reaction time of 1 hour. The yield is about 96%.

When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact. It may cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: ClS(=O)(=O)c2c(c(c1OC(CCc1c2C)(C)C)C)C
(2)InChI: InChI=1/C14H19ClO3S/c1-8-9(2)13(19(15,16)17)10(3)11-6-7-14(4,5)18-12(8)11/h6-7H2,1-5H3
(3)InChIKey: UXUOVYKDMGFUDU-UHFFFAOYAM