CAS No.20628-27-7,N-(2-(METHYLSULFONYL)PHENYL)ACETAMIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	20628-27-7
Name:	N-(2-(METHYLSULFONYL)PHENYL)ACETAMIDE
Article Data:	5

Formula:	C₉H₁₁NO₃S
Molecular Weight:	213.257
Synonyms:	Acetanilide,2'-(methylsulfonyl)- (8CI);
Density:	1.297 g/cm³
Melting Point:	143.5-147.5 °C
Boiling Point:	478.5 °C at 760 mmHg
Flash Point:	243.2 °C
Hazard Symbols:	Xi
PSA:	71.62000
LogP:	2.20230

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Specification

The Acetamide,N-[2-(methylsulfonyl)phenyl]-, with the CAS registry number 20628-27-7, is also known as N-Acetyl-2-(methylsulphonyl)aniline. It belongs to the product categories of Nitrogen Compounds; Organic Building Blocks; Protected Amines. This chemical's molecular formula is C₉H₁₁NO₃S and molecular weight is 213.25354. What's more, its systematic name is called N-[2-(Methylsulfonyl)phenyl]acetamide. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about Acetamide,N-[2-(methylsulfonyl)phenyl]- are: (1) ACD/LogP: 0.26; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 0.26; (4) ACD/LogD (pH 7.4): 0.26; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 33.17; (8) ACD/KOC (pH 7.4): 33.17; (9)#H bond acceptors: 4; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 62.83 Å²; (13) Index of Refraction: 1.561; (14) Molar Refractivity: 53.21 cm³; (15) Molar Volume: 164.2 cm³; (16) Surface Tension: 49.1 dyne/cm; (17) Density: 1.297 g/cm³; (18) Flash Point: 243.2 °C; (19) Enthalpy of Vaporization: 74.26 kJ/mol; (20) Boiling Point: 478.5 °C at 760 mmHg; (21) Vapour Pressure: 2.56E-09 mmHg at 25 °C; (22) Melting Point: 143.5-147.5 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(c1ccccc1NC(=O)C)C
(2) InChI: InChI=1/C9H11NO3S/c1-7(11)10-8-5-3-4-6-9(8)14(2,12)13/h3-6H,1-2H3,(H,10,11)
(3) InChIKey: NGWCPCSZLLJKPD-UHFFFAOYAT