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Home> Hot Product Listed D   > DIPHENYLPHOSPHINOETHYLDIMETHYLETHOXYSILANE
503070-58-4 structure

DIPHENYLPHOSPHINOETHYLDIMETHYLETHOXYSILANE

Iupac Name:4-[(1R)-2-[6-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]hexylamino]-1-hydroxyethyl]-2-(hydroxymethyl)phenol;2,2,2-triphenylacetic acid
CAS No.:503070-58-4
Molecular Weight:774.776
Molecular Formula:C7H15NO (isomer)
Names and Identifiers
Synonyms

(2-(ethoxydimethylsilyl)ethyl)diphenylphosphine [2-(diphenylphosphino)ethyl]ethoxydimethylsilane [2-(ethoxydimethylsilyl)ethyl]diphenylphosphane {2-[ethoxy(dimethyl)silyl]ethyl}(diphenyl)phosphane 2-(DIPHENYLPHOSPHINO)ETHYLDIMETHYLETHOXYSILANE AK397840 AKOS027382502 CTK4H5707 DTXSID50700902 mfcd01320952 SCHEMBL487324 ZINC198590709

Inchi
InChI=1S/C24H33Cl2NO5.C20H16O2/c25-21-6-5-7-22(26)20(21)17-32-13-12-31-11-4-2-1-3-10-27-15-24(30)18-8-9-23(29)19(14-18)16-28;21-19(22)20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h5-9,14,24,27-30H,1-4,10-13,15-17H2;1-15H,(H,21,22)/t24-;/m0./s1
InChkey
KLOLZALDXGTNQE-JIDHJSLPSA-N
Canonical Smiles
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)O.C1=CC(=C(C(=C1)Cl)COCCOCCCCCCNCC(C2=CC(=C(C=C2)O)CO)O)Cl
Properties
Density
1.1
Melting Point
131.9-134.2℃
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Specific target organ toxicity – single exposure, Category 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H370 Causes damage to organs

H411 Toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P273 Avoid release to the environment.

Response

P308+P311 IF exposed or concerned: Call a POISON CENTER/doctor/...

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

P391 Collect spillage.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:774.776g/mol
  • Molecular Formula:C7H15NO
  • Compound Is Canonicalized:True
  • Exact Mass:773.289
  • Monoisotopic Mass:773.289
  • Complexity:778
  • Rotatable Bond Count:20
  • Hydrogen Bond Donor Count:5
  • Hydrogen Bond Acceptor Count:8
  • Topological Polar Surface Area:129A^2
  • Heavy Atom Count:54
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADcfB+OAAGAAAAAAAAAAAAAAAAAAAAAAAwYMGDAAAAAAABVAAAHgIQCAAADhbhmCYwDoLABgCI AiDSCAACAAAgJQAIiIEOCogLNzKDtxuGcAAl0BGauAeY6OSPoAACAACJAABAAAQAARIAAAAAAAAA AA==
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