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Home> Hot Product Listed E   > Ethanone, 2-fluoro-1-[(2S)-tetrahydro-2-furanyl]- (9CI)
81-77-6 structure

Ethanone, 2-fluoro-1-[(2S)-tetrahydro-2-furanyl]- (9CI)

CAS No.:81-77-6
Molecular Weight:442.42176
Molecular Formula:C11H11F (isomer)
Names and Identifiers
Synonyms

2-fluoro-1-[(2s)-oxolan-2-yl]ethanone 2-fluoro-1-[(2s)-tetrahydro-2-furanyl]ethanone ethanone,2-fluoro-1-[ -tetrahydro-2-furanyl]- KB-284483 ZINC39054703

Inchi
InChI=1/C28H14N2O4/c31-25-13-5-1-3-7-15(13)27(33)21-17(25)9-11-19-23(21)29-20-12-10-18-22(24(20)30-19)28(34)16-8-4-2-6-14(16)26(18)32/h1-12,29-30H
Canonical Smiles
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C4=C(C=C3)NC5=C(N4)C=CC6=C5C(=O)C7=CC=CC=C7C6=O
Properties
Melting Point
470-500℃
Boiling Point
808.6°Cat760mmHg
Refractive Index
1.746
Safety and Handling
Risk Statements
R20/21/22
Safety Statements
22-36/37/39
Transport
CB8761100
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
FULL JOINT 100_1000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
BASF Colors & Effects GmbH 2017
DCC Maastricht B.V. OR 2015
DyStar Colours Distribution GmbH 2016
more >
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:442.42176g/mol
  • Molecular Formula:C11H11F
  • Exact Mass:442.095357
  • Monoisotopic Mass:442.095357
  • Complexity:857
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:92.3
  • Heavy Atom Count:34
  • 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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