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Home> Encyclopedia > Hot Product Listed 5   > 5-Decen-1-yne, (5E)-
15091-30-2 structure

5-Decen-1-yne, (5E)-

Iupac Name:3,4-dibromothiolane 1,1-dioxide
CAS No.:15091-30-2
Molecular Weight:277.958
Molecular Formula:C15H20O2 (isomer)
Names and Identifiers
Synonyms

5-Decen-1-yne,(E)- trans-5-Decen-1-yne

Inchi
InChI=1S/C4H6Br2O2S/c5-3-1-9(7,8)2-4(3)6/h3-4H,1-2H2
InChkey
CGWKQCYAMPDEGC-UHFFFAOYSA-N
Canonical Smiles
C1C(C(CS1(=O)=O)Br)Br
Properties
Melting Point
143 °C
Boiling Point
252.7°C at 760 mmHg
Vapour
0.025mmHg at 25°C
Refractive Index
1.641
Flash Point
387.9°C
HS Code
2934999090
Safety and Handling
Safety Statements
Poison by intraperitoneal and intravenous routes. See also BROMIDES. When heated to decomposition it emits very toxic fumes of Br− and SOx.
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:277.958g/mol
  • Molecular Formula:C15H20O2
  • Compound Is Canonicalized:True
  • Exact Mass:277.843
  • Monoisotopic Mass:275.846
  • Complexity:177
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:42.5A^2
  • Heavy Atom Count:9
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:2
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYBgMABAGAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAAAAAAAGARAAAAByACEQACAAAAAAAoA AAAAAHBAAAAAABAAAAAAACAAAAAgAAAAAAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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