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Home> Hot Product Listed 1   > 1,3-Dioxolane, 4,5-diethynyl-2,2-dimethyl-, (4S,5S)- (9CI)
13708-12-8 structure

1,3-Dioxolane, 4,5-diethynyl-2,2-dimethyl-, (4S,5S)- (9CI)

Iupac Name:5-methylquinoxaline
CAS No.:13708-12-8
Molecular Weight:144.17322
Molecular Formula:C9H3F4NO (isomer)
Names and Identifiers
Synonyms

(4s,5s)-4,5-diethynyl-2,2-dimethyl-1,3-dioxolane 1,3-dioxolane,4,5-diethynyl-2,2-dimethyl-, - CTK2F1950 DTXSID20663696

Inchi
InChI=1/C9H8N2/c1-7-3-2-4-8-9(7)11-6-5-10-8/h2-6H,1H3
InChkey
CQLOYHZZZCWHSG-UHFFFAOYSA-N
Canonical Smiles
CC1=C2C(=CC=C1)N=CC=N2
Properties
Melting Point
20-21 °C
Boiling Point
303.697°C at 760 mmHg
Vapour
0.0465mmHg at 25°C
Refractive Index
n20/D 1.62(lit.)
HS Code
29339900
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
26-36
Reach Info
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

Computational chemical data
  • Molecular Weight:144.17322g/mol
  • Molecular Formula:C9H3F4NO
  • XLogP3-AA:2
  • Exact Mass:144.068748
  • Monoisotopic Mass:144.068748
  • Complexity:136
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:25.8
  • Heavy Atom Count:11
  • 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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