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Home> Hot Product Listed 3   > 3-(p-chlorophenyl)-3-(2-pyridyl)-propyl alcohol
766-15-4 structure

3-(p-chlorophenyl)-3-(2-pyridyl)-propyl alcohol

Iupac Name:4,4-dimethyl-1,3-dioxane
CAS No.:766-15-4
Molecular Weight:116.15828
Molecular Formula:C21H16N2O4S2 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1/C6H12O2/c1-6(2)3-4-7-5-8-6/h3-5H2,1-2H3
InChkey
GDKSTFXHMBGCPG-UHFFFAOYSA-N
Canonical Smiles
CC1(CCOCO1)C
Properties
Refractive Index
1.402
Safety and Handling
Safety Statements
Moderately toxic by ingestion and skin contact. An experimental teratogen. A skin and severe eye irritant. When heated to decomposition it emits acrid smoke and fumes.
PackingGroup
O52
Transport
33612 
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:116.15828g/mol
  • Molecular Formula:C21H16N2O4S2
  • Exact Mass:116.08373
  • Monoisotopic Mass:116.08373
  • Complexity:78.6
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:18.5
  • Heavy Atom Count:8
  • 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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