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Ethyl O-mesitylsulfonylacetohydroxamate

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Name

Ethyl O-mesitylsulfonylacetohydroxamate

EINECS 253-825-5
CAS No. 38202-27-6 Density 1.155 g/cm3
PSA 73.34000 LogP 3.76780
Solubility Insoluble in water Melting Point 54-56 °C(lit.)
Formula C13H19NO4S Boiling Point 381.7 °C at 760 mmHg
Molecular Weight 285.364 Flash Point 184.7 °C
Transport Information N/A Appearance white to light yellow crystalline powder
Safety 24/25 Risk Codes R36/37/38
Molecular Structure Molecular Structure of 38202-27-6 (Ethyl O-mesitylsulfonylacetohydroxamate) Hazard Symbols Xi
Synonyms

EthylO-2,4,6-trimethylphenylsulfonylacetohydroxamate;N-[(Mesitylenesulfonyl)oxy]acetimidicacid ethyl ester;O-Mesitylsulfonylacetohydroxamic acid ethyl ester;

Article Data 21

Ethyl O-mesitylsulfonylacetohydroxamate Specification

The Ethanimidic acid,N-[[(2,4,6-trimethylphenyl)sulfonyl]oxy]-, ethyl ester, with CAS registry number 38202-27-6, belongs to the following product categories: (1)Amination; (2)Sulfur Compounds (for Synthesis); (3)Synthetic Organic Chemistry. It has the systematic name of ethyl N-{[(2,4,6-trimethylphenyl)sulfonyl]oxy}ethanimidoate. This chemical should be stored at the temperature of 2-8°C. When use this chemical, please avoid contact with skin and eyes.

Physical properties of Ethanimidic acid,N-[[(2,4,6-trimethylphenyl)sulfonyl]oxy]-, ethyl ester: (1)ACD/LogP: 4.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 646.03; (6)ACD/BCF (pH 7.4): 646.03; (7)ACD/KOC (pH 5.5): 3574.23; (8)ACD/KOC (pH 7.4): 3574.23; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 73.34 Å2; (13)Index of Refraction: 1.515; (14)Molar Refractivity: 74.56 cm3; (15)Molar Volume: 247 cm3; (16)Polarizability: 29.56×10-24cm3; (17)Surface Tension: 35.5 dyne/cm; (18)Enthalpy of Vaporization: 60.54 kJ/mol; (19)Vapour Pressure: 1.09E-05 mmHg at 25°C.

Uses of Ethanimidic acid,N-[[(2,4,6-trimethylphenyl)sulfonyl]oxy]-, ethyl ester: it can be used to produce O-(1,3,5-trimethyl-benzenesulfonyl)-hydroxylamine. This reaction will need reagent 70% perchloric acid and solvent dioxane with the temperature of 0 - 10 ℃.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(ON=C(OCC)C)c1c(cc(cc1C)C)C
(2)InChI: InChI=1/C13H19NO4S/c1-6-17-12(5)14-18-19(15,16)13-10(3)7-9(2)8-11(13)4/h7-8H,6H2,1-5H3
(3)InChIKey: KQCBSWBQAXTILK-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C13H19NO4S/c1-6-17-12(5)14-18-19(15,16)13-10(3)7-9(2)8-11(13)4/h7-8H,6H2,1-5H3
(5)Std. InChIKey: KQCBSWBQAXTILK-UHFFFAOYSA-N

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