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Aceticacid, anhydride with methanesulfonic acid

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Name

Aceticacid, anhydride with methanesulfonic acid

EINECS N/A
CAS No. 5539-53-7 Density 1.346 g/cm3
PSA 68.82000 LogP 0.58990
Solubility N/A Melting Point N/A
Formula C3H6O4S Boiling Point 202.1 °C at 760 mmHg
Molecular Weight 138.144 Flash Point 76 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 5539-53-7 (acetyl Methanesulfonate) Hazard Symbols N/A
Synonyms

Methanesulfonyl acetate;NSC 158252;AC1Q68QF;AC1L6I29;MolPort-003-910-908;AR-1J6737;CID292469;

Article Data 2

Aceticacid, anhydride with methanesulfonic acid Specification

The Aceticacid, anhydride with methanesulfonic acid with CAS registry number of 5539-53-7 is also known as Methanesulfonyl acetate. The IUPAC name is Methylsulfonyl acetate. In addition, the formula is C3H6O4S and the molecular weight is 138.14.

Physical properties about Aceticacid, anhydride with methanesulfonic acid are: (1)ACD/LogP: -0.71; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 68.82Å2; (7)Index of Refraction: 1.431; (8)Molar Refractivity: 26.6 cm3; (9)Molar Volume: 102.5 cm3; (10)Polarizability: 10.54×10-24cm3; (11)Surface Tension: 40.9 dyne/cm; (12)Density: 1.346 g/cm3; (13)Flash Point: 76 °C; (14)Enthalpy of Vaporization: 43.83 kJ/mol; (15)Boiling Point: 202.1 °C at 760 mmHg; (16)Vapour Pressure: 0.298 mmHg at 25 °C.

Preparation of Aceticacid, anhydride with methanesulfonic acid: it is prepared by reaction of acetyl chloride with methanesulphonyltrifluoroacetic anhydride. The reaction occurs at 50 °C for 1 hour and products trifluoroacetyl chloride at the same time. The yield is about 86.5%.

Aceticacid, anhydride with methanesulfonic acid is prepared by reaction of acetyl chloride with methanesulphonyltrifluoroacetic anhydride.

Uses of Aceticacid, anhydride with methanesulfonic acid: it is used to produce acetic acid 4-bromo-1-methyl-1,3a,4,5,6,6a-hexahydro-pentalen-2-yl ester by reaction with 4-exo-methyltricyclo[3.3.0.02,8]octan-3-one. The reaction occurs with reagent tetramethylammonium bromide and acetonitrile at ambient temperature for 24 hours. The yield is about 72%.

Aceticacid, anhydride with methanesulfonic acid is used to produce acetic acid 4-bromo-1-methyl-1,3a,4,5,6,6a-hexahydro-pentalen-2-yl ester by reaction with 4-exo-methyltricyclo[3.3.0.02,8]octan-3-one.

You can still convert the following datas into molecular structure:
1. SMILES: O=C(OS(=O)(=O)C)C
2. InChI: InChI=1/C3H6O4S/c1-3(4)7-8(2,5)6/h1-2H3
3. InChIKey: SMQSMQUBQPWGAO-UHFFFAOYAJ
4. Std. InChI: InChI=1S/C3H6O4S/c1-3(4)7-8(2,5)6/h1-2H3
5. Std. InChIKey: SMQSMQUBQPWGAO-UHFFFAOYSA-N

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