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Home> Encyclopedia > Hot Product Listed 2   > 2,3-Pentanedione,4-methyl-
7791-27-7 structure

2,3-Pentanedione,4-methyl-

CAS No.:7791-27-7
EINECS(EC#): 227-870-6
Molecular Weight:215.033
Names and Identifiers
Synonyms

2,3-Pentanedione, 4-methyl- 4-Methyl-2,3-pentanedione 4-methyl-3-pentanedione 4-Methyl-pentane-2,3-dione 4-methylpentane-2,3-dione Acetyl isobutyryl FEMA 2730 NSC 31666

Inchi
InChI=1S/Cl2O5S2/c1-8(3,4)7-9(2,5)6
InChkey
NNTJKSMVNWGFTB-UHFFFAOYSA-N
Canonical Smiles
O=S(=O)(OS(=O)(=O)Cl)Cl
Properties
Appearance
pale yellow to yellow clear liquid
Density
1.41
Melting Point
-37
Boiling Point
707°C at 760 mmHg
Refractive Index
1.535
Flash Point
238.8°C
Solubility
Insoluble in water
Safety and Handling
Safety Statements
A very poisonous material that is also corrosive to the eyes, skin, and mucous membranes. Violent reaction with water. Vigorous reaction with phosphorus. When heated to decomposition it emits very toxic fumes of Cl− and SOx. See also CHLOROSULFONIC ACID.
PackingGroup
II
Transport
1817
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:215.033g/mol
  • Molecular Formula:
  • Exact Mass:213.85642
  • Monoisotopic Mass:213.85642
  • Complexity:227
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:94.3
  • Heavy Atom Count:9
  • 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
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