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Home> Hot Product Listed 8   > 8-METHOXY-4-METHYLBENZO[G]COUMARIN
50919-06-7 structure

8-METHOXY-4-METHYLBENZO[G]COUMARIN

Iupac Name:2-(2-fluorophenyl)ethanol
CAS No.:50919-06-7
Molecular Weight:140.157
Molecular Formula:C17H21N3O3S2 (isomer)
Names and Identifiers
Synonyms

8-Methoxy-4-methyl-2H-naphtho[2,3-b]pyran-2-one 8-METHOXY-4-METHYLBENZO[G]COUMARIN,98.0+%(LC)

Inchi
InChI=1S/C8H9FO/c9-8-4-2-1-3-7(8)5-6-10/h1-4,10H,5-6H2
InChkey
HNIGZVZDWCTFPR-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C(=C1)CCO)F
Properties
Refractive Index
n20/D 1.509(lit.)
Flash Point
189.3°C
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
36/37/39-26-45-27
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

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:140.157g/mol
  • Molecular Formula:C17H21N3O3S2
  • Compound Is Canonicalized:True
  • Exact Mass:140.064
  • Monoisotopic Mass:140.064
  • Complexity:95.3
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:20.2A^2
  • Heavy Atom Count:10
  • 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
  • CACTVS Substructure Key Fingerprint: AAADccBwIQAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGwAACAAADACgmAowAIAAAgCA AiBCAAACAAAgAAAIiAAAAIgIMCKAERCAYAAkwAEIiAeAwKAOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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