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CAS No.: | 38202-27-6 |
---|---|
Name: | Ethyl O-mesitylsulfonylacetohydroxamate |
Article Data: | 21 |
Molecular Structure: | |
Formula: | C13H19NO4S |
Molecular Weight: | 285.364 |
Synonyms: | EthylO-2,4,6-trimethylphenylsulfonylacetohydroxamate;N-[(Mesitylenesulfonyl)oxy]acetimidicacid ethyl ester;O-Mesitylsulfonylacetohydroxamic acid ethyl ester; |
EINECS: | 253-825-5 |
Density: | 1.155 g/cm3 |
Melting Point: | 54-56 °C(lit.) |
Boiling Point: | 381.7 °C at 760 mmHg |
Flash Point: | 184.7 °C |
Solubility: | Insoluble in water |
Appearance: | white to light yellow crystalline powder |
Hazard Symbols: | Xi |
Risk Codes: | R36/37/38 |
Safety: | 24/25 |
PSA: | 73.34000 |
LogP: | 3.76780 |
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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