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Home> Encyclopedia > Hot Product Listed 2   > 2,6-Methano-2H-indeno[5,6-b]oxirene,3,6-dihydro-
51336-94-8 structure

2,6-Methano-2H-indeno[5,6-b]oxirene,3,6-dihydro-

Iupac Name:2-chloro-1-(2,4-difluorophenyl)ethanone
CAS No.:51336-94-8
EINECS(EC#): 280-393-5
Molecular Weight:190.574
Molecular Formula:C5H3CLN2O3 (isomer)
Names and Identifiers
Synonyms

4,7-Methano-1H-indene,5,6-epoxy-4,7-dihydro-

Inchi
InChI=1S/C8H5ClF2O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3H,4H2
InChkey
UENGBOCGGKLVJJ-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=C(C=C1F)F)C(=O)CCl
Properties
Density
1.69
Melting Point
44-48℃
Boiling Point
327 ºC at 760 mmHg
Refractive Index
1.526
Flash Point
202.8°C
HS Code
2914700090
Safety and Handling
Risk Statements
R34
Safety Statements
S25;S36/37/39;S45
HazardClass
8
Hazard Note
H314
PackingGroup
II
Transport
UN 3261
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:190.574g/mol
  • Molecular Formula:C5H3CLN2O3
  • Compound Is Canonicalized:True
  • Exact Mass:190
  • Monoisotopic Mass:190
  • Complexity:174
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:17.1A^2
  • Heavy Atom Count:12
  • 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: AAADcYBwIYAEAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGwIAAAAADAeAmEgwAIAAAACI AqBSAAACAAAkAAAIiAEAAshIIDKBFRCAIQAggAAIiYcIiICOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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