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METHYL PENTAFLUOROBUT-3-ENOATE structure

METHYL PENTAFLUOROBUT-3-ENOATE

 
1. Names and Identifiers
1.1 Name
METHYL PENTAFLUOROBUT-3-ENOATE
1.2 Synonyms
2,2,3,4,4-pentafluoro-3-butenoic acid methyl ester; 3-Butenoic acid, 2,2,3,4,4-pentafluoro-, methyl ester; METHYL PENTAFLUOROBUT-3-ENOATE; METHYL PENTAFLUOROBUTEN-3-OATE; METHYL PERFLUOROBUTEN-3-OATE;
1.3 CAS No.
20562-79-2
1.4 CID
140713
1.5 Molecular Formula
C5H3F5O2
1.6 Inchi
InChI=1S/C5H3F5O2/c1-12-4(11)5(9,10)2(6)3(7)8/h1H3
1.7 InChkey
AZKKPFXZCSUOGD-UHFFFAOYSA-N
1.8 Canonical Smiles
COC(=O)C(C(=C(F)F)F)(F)F
1.9 Isomers Smiles
COC(=O)C(C(=C(F)F)F)(F)F
2. 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

3. NMR Spectrum
13C NMR : Predict  
1H NMR : Predict  
4. Synthesis Route
20562-79-2Total: 1 Synthesis Route
 
67-56-1
67-56-1 382 Suppliers
 
 
20562-79-2
20562-79-2 3 Suppliers
5. Precursor and Product
6. Computed Properties
  • Molecular Weight:190.069g/mol
  • Molecular Formula:C5H3F5O2
  • Compound Is Canonicalized:True
  • Exact Mass:1.6
  • XLogP3-AA:190.00532014
  • Monoisotopic Mass:190.00532014
  • Complexity:218
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:26.3
  • 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:AAADcQBgMcAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGwAAAAAACAAAgBICCAAABACIAADQCAAAAAAgAAAAAAEAAAgAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
7. Toltal 3 Suppliers View more
Tel: Update Time:2024/06/17
Tel: Update Time:2019/11/25
Tel: Update Time:2019/11/25
8. Realated Product Infomation
 
 
 
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