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Home> Hot Product Listed R   > Ryanodol,3-[1-(phenylmethyl)-1H-pyrrole-2-carboxylate] (9CI)
34036-80-1 structure

Ryanodol,3-[1-(phenylmethyl)-1H-pyrrole-2-carboxylate] (9CI)

Iupac Name:(E)-N-[bis[[(E)-butan-2-ylideneamino]oxy]-phenylsilyl]oxybutan-2-imine
CAS No.:34036-80-1
Molecular Weight:363.533
Molecular Formula:C259H430N80O76S7 (isomer)
Names and Identifiers
Synonyms

6,9-Methanobenzo[1,2]pentaleno[1,6-bc]furan,ryanodol deriv.

Inchi
InChI=1S/C18H29N3O3Si/c1-7-15(4)19-22-25(23-20-16(5)8-2,24-21-17(6)9-3)18-13-11-10-12-14-18/h10-14H,7-9H2,1-6H3/b19-15+,20-16+,21-17+
InChkey
XKBQRJBETDMEFN-ILRZCOILSA-N
Canonical Smiles
CCC(=NO[Si](C1=CC=CC=C1)(ON=C(C)CC)ON=C(C)CC)C
Properties
Melting Point
<0°C
Refractive Index
1.489
Flash Point
181.7 °C
Safety and Handling
Risk Statements
36/37/38
Safety Statements
26-36/37/39
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin sensitization, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

Warning

Hazard statement(s)

H317 May cause an allergic skin reaction

H373 May cause damage to organs through prolonged or repeated exposure

Precautionary statement(s)
Prevention

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P272 Contaminated work clothing should not be allowed out of the workplace.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P302+P352 IF ON SKIN: Wash with plenty of water/...

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

P321 Specific treatment (see ... on this label).

P362+P364 Take off contaminated clothing and wash it before reuse.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:363.533g/mol
  • Molecular Formula:C259H430N80O76S7
  • Compound Is Canonicalized:True
  • Exact Mass:363.198
  • Monoisotopic Mass:363.198
  • Complexity:431
  • Rotatable Bond Count:10
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:64.8A^2
  • Heavy Atom Count:25
  • 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:1
  • CACTVS Substructure Key Fingerprint: AAADceB7MAgAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHBAEAEAACAiBMAAyAIAQAACg ASBiAAACAAAgAAAIiAAwAIgIICKAERCAIAAggAAIiAcAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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