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Basic Information
CAS No.: 53298-30-9
Name: 2-(METHYLSULFONYL)ETHYL 4-NITROPHENYL CARBONATE
Article Data: 2
Molecular Structure:
Molecular Structure of 53298-30-9 (2-(METHYLSULFONYL)ETHYL 4-NITROPHENYL CARBONATE)
Formula: C10H11NO7S
Molecular Weight: 289.266
Synonyms: 2-Methylsulfonylethyl4-nitrophenyl carbonate;
EINECS: 258-464-7
Density: 1.451g/cm3
Melting Point: 100-103 °C
Boiling Point: 527 °C at 760 mmHg
Flash Point: 272.5 °C
Safety: 22-24/25
PSA: 123.87000
LogP: 2.75880
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    CAS Number:53298-30-9 Name: Carbonic acid,2-(methylsulfonyl)ethyl 4-nitrophenyl ester Molecular Structure: Formula: C10H11NO7S Molecular Weight: 289.26 Synonyms: 2-Methylsulfonylethyl4-nitr Package:1g.5g.10g.20g.50g.100g.200g

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Specification

The Carbonic acid,2-(methylsulfonyl)ethyl 4-nitrophenyl ester, with CAS registry number 53298-30-9, belongs to the following product categories: (1)Amine ProtectionProtection and Derivatization; (2)Others; (3)Peptide Synthesis; (4)Protecting and Derivatizing Reagents; (5)Specialty Synthesis. It has the systematic name of 2-(methylsulfonyl)ethyl 4-nitrophenyl carbonate. This chemical should be stored at the temperature of 2-8°C. When use this chemical, do not breathe dust and avoid contact with skin and eyes.

Physical properties of Carbonic acid,2-(methylsulfonyl)ethyl 4-nitrophenyl ester: (1)ACD/LogP: 0.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.8; (4)ACD/LogD (pH 7.4): 0.8; (5)ACD/BCF (pH 5.5): 2.4; (6)ACD/BCF (pH 7.4): 2.4; (7)ACD/KOC (pH 5.5): 65.07; (8)ACD/KOC (pH 7.4): 65.07; (9)#H bond acceptors: 8; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 123.87 Å2; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 63.72 cm3; (15)Molar Volume: 199.3 cm3; (16)Polarizability: 25.26×10-24cm3; (17)Surface Tension: 56.6 dyne/cm; (18)Density: 1.451 g/cm3; (19)Flash Point: 272.5 °C; (20)Enthalpy of Vaporization: 80.14 kJ/mol; (21)Boiling Point: 527 °C at 760 mmHg; (22)Vapour Pressure: 3.41E-11 mmHg at 25°C.

Uses of Carbonic acid,2-(methylsulfonyl)ethyl 4-nitrophenyl ester: it can be used to produce 5-(methoxyimino-methyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid 2-methanesulfonyl-ethyl ester. The reaction will need reagent triethylamine and solvent CH2Cl2. The reaction time is 60 min. The yield is about 51%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Oc1ccc(cc1)[N+]([O-])=O)OCCS(=O)(=O)C
(2)InChI: InChI=1/C10H11NO7S/c1-19(15,16)7-6-17-10(12)18-9-4-2-8(3-5-9)11(13)14/h2-5H,6-7H2,1H3
(3)InChIKey: RRMVRASAASKOHS-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C10H11NO7S/c1-19(15,16)7-6-17-10(12)18-9-4-2-8(3-5-9)11(13)14/h2-5H,6-7H2,1H3
(5)Std. InChIKey: RRMVRASAASKOHS-UHFFFAOYSA-N