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Home> Hot Product Listed M   > MOLPORT-009-766-593
18323-96-1 structure

MOLPORT-009-766-593

Iupac Name:(Z)-6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-5-oxooct-3-en-3-olate;
(E)-6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-5-oxooct-3-en-3-olate;
ytterbium(3+)
CAS No.:18323-96-1
Molecular Weight:1058.562067
Molecular Formula:C17H26O4 (isomer)
Names and Identifiers
Synonyms

(2-{3-[(decyloxy)methyl]-2-imino-1,3-benzodiazol-1-yl}ethyl)diethylamine hydrochloride AKOS030509667 c24h43cln4o

Inchi
InChI=1/3C10H11F7O2.Yb/c3*1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17;/h3*4,18H,1-3H3;/q;;;+3/p-3/b2*5-4+;5-4-;
Canonical Smiles
CC(C)(C)C(=CC(=O)C(C(C(F)(F)F)(F)F)(F)F)[O-].CC(C)(C)C(=CC(=O)C(C(C(F)(F)F)(F)F)(F)F)[O-].CC(C)(C)C(=CC(=O)C(C(C(F)(F)F)(F)F)(F)F)[O-].[Yb+3]
Isomers Smiles
CC(/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F)/[O-])(C)C.CC(/C(=C\C(=O)C(F)(F)C
(F)(F)C(F)(F)F)/[O-])(C)C.CC(/C(=C/C(=O)C(F)(F)C(F)(F)C(F)(F)F)/[O-])(C)
C.[Yb+3]
Properties
Melting Point
108-111 °C
Vapour
0.0812mmHg at 25°C
HS Code
28469000
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S24/25
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 18323-96-1 EC: MOLPORT-009-766-593 ·ECHA C&L Inventory for CAS: CAS: 18323-96-1 EC: MOLPORT-009-766-593
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:1058.562067g/mol
  • Molecular Formula:C17H26O4
  • Exact Mass:1059.109564
  • Monoisotopic Mass:1059.109564
  • Complexity:388
  • Rotatable Bond Count:12
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:27
  • Topological Polar Surface Area:120
  • Heavy Atom Count:58
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:3
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:4
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Recommended Suppliers
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  • Tel:+86-21-62960152,61525205,61538832,61538837
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