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3-(4-Aminophenyl)-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone structure
3-(4-Aminophenyl)-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone structure

3-(4-Aminophenyl)-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone

Iupac Name:prop-2-enamide
CAS No.:9003-05-8
Molecular Weight:71.0779
1. Names and Identifiers
1.1 Name
3-(4-Aminophenyl)-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone
1.2 Synonyms

2(5H)-Furanone, 3-(4-aminophenyl)-4-[4-(methylsulfonyl)phenyl]- 3-(4-Aminophenyl)-4-(4-methylsulfonylphenyl)-5H-furan-2-one

1.3 CAS No.
9003-05-8
1.4 CID
6579
1.5 Molecular Formula
C11H15NO2Si (isomer)
1.6 Inchi
InChI=1S/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5)
1.7 InChkey
HRPVXLWXLXDGHG-UHFFFAOYSA-N
1.8 Canonical Smiles
C=CC(=O)N
1.9 Isomers Smiles
C=CC(=O)N
2. Properties
3.1 Melting point
>300 °C
3.1 Refractive index
n20/D 1.452
3.1 Vapour pressure
0.007 mm Hg at 68 °F (EPA, 1998)
3.1 Precise Quality
71.03710
3.1 PSA
43.09000
3.1 logP
0.35800
3. Safety and Handling
4.1 Risk Statements
45-21/22-36/37/38-42/43
4.1 Safety Statements
24/25-45-36/37/39-23-53
4.1 Packing Group
III
4.1 RIDADR
UN 2074
4.1 WGK Germany
1
4.1 RTECS
AS3700000
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight:71.0779g/mol
  • Molecular Formula:C11H15NO2Si
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:71.037113783
  • Monoisotopic Mass:71.037113783
  • Complexity:57.9
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:43.1
  • Heavy Atom Count:5
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
6. Question & Answer
  • Polyacrylamide, abbreviated as PAM. It is not a plastic. It is a high-molecular compound made from acrylonitrile as the starting material and polymerization of the intermediate product acrylamide. Classified by shape, polyacrylamide has four forms: powder, colloid, aqueous solution and emulsion. Ac...
  • Many customers or purchasers do not know about polyacrylamide products when they buy them. In addition to asking the price, there will be many questions. For example, the product specification, type, index, etc., among which the most question is whether polyacrylamide belongs to the dangerous chemi...
  • I've been having a puzzle explaining the experimental results with the citrate anions and PEG modified polyacrylamide: According to the experimental data there is a hydrogel swelling whenever citrate is added to a 10mM PBS solution. However, according to the Hofmeister series, citrate is a well kno...
  • Polyacrylamide (PAM) is insoluble in most organic solvents, such as methanol, ethanol, acetone, ether, aliphatic hydrocarbons and aromatic hydrocarbons, except for a few polar organic solvents, such as acetic acid, acrylic acid, chloroacetic acid, ethylene glycol, glycerin, Melt urea and formamide....
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