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2'-Phenoxymethanesulfonanilide

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Name

2'-Phenoxymethanesulfonanilide

EINECS 257-399-1
CAS No. 51765-51-6 Density 1.313 g/cm3
PSA 63.78000 LogP 4.00420
Solubility 176.1mg/L at 25℃ Melting Point 126℃
Formula C13H13NO3S Boiling Point 378.9 °C at 760 mmHg
Molecular Weight 263.317 Flash Point 183 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 51765-51-6 ((2-PHENOXY)METHYLSULFONYLANILINE) Hazard Symbols N/A
Synonyms

2'-Phenoxymethanesulfonanilide;N-(2-Phenoxyphenyl)-methanesulfonamide;Einecs 257-399-1;N-(2-phenoxyphenyl)methanesulphonamide;

Article Data 2

2'-Phenoxymethanesulfonanilide Specification

The CAS register number of Methanesulfonamide,N-(2-phenoxyphenyl)- is 51765-51-6. It also can be called as 2'-Phenoxymethanesulfonanilide and the systematic name about this chemical is N-(2-phenoxyphenyl)methanesulfonamide. The molecular formula about this chemical is C13H13NO3S and the molecular weight is 263.31.

Physical properties about Methanesulfonamide,N-(2-phenoxyphenyl)- are: (1)ACD/LogP: 2.92; (2)ACD/LogD (pH 5.5): 2.92; (3)ACD/LogD (pH 7.4): 2.92; (4)ACD/BCF (pH 5.5): 98.17; (5)ACD/BCF (pH 7.4): 97.55; (6)ACD/KOC (pH 5.5): 927.82; (7)ACD/KOC (pH 7.4): 921.94; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 54.99 Å2; (12)Index of Refraction: 1.618; (13)Molar Refractivity: 70.29 cm3; (14)Molar Volume: 200.5 cm3; (15)Polarizability: 27.86x10-24cm3; (16)Surface Tension: 52.7 dyne/cm; (17)Density: 1.313 g/cm3; (18)Flash Point: 183 °C; (19)Enthalpy of Vaporization: 62.69 kJ/mol; (20)Boiling Point: 378.9 °C at 760 mmHg; (21)Vapour Pressure: 6.08E-06 mmHg at 25 °C.

Preparation: this chemical can be prepared by methanesulfonyl chloride and 2-phenoxy-aniline. This reaction will need and solvent of pyridine. The reaction time is 2 hours with reaction temperature of 25 °C. The yield is about 97%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(Nc2ccccc2Oc1ccccc1)C
(2)InChI: InChI=1/C13H13NO3S/c1-18(15,16)14-12-9-5-6-10-13(12)17-11-7-3-2-4-8-11/h2-10,14H,1H3
(3)InChIKey: WSFHNGGYRUTXFN-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C13H13NO3S/c1-18(15,16)14-12-9-5-6-10-13(12)17-11-7-3-2-4-8-11/h2-10,14H,1H3
(5)Std. InChIKey: WSFHNGGYRUTXFN-UHFFFAOYSA-N

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