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Home> Hot Product Listed T   > T6661445
4200-55-9 structure

T6661445

Iupac Name:tris-decyl phosphate
CAS No.:4200-55-9
Molecular Weight:518.804
Molecular Formula:C18H17CLN4O2 (isomer)
Names and Identifiers
Synonyms

2-{[(5-chlorothiophen-2-yl)methyl]sulfanyl}-n-(pyridin-4-yl)acetamide MCULE-7346491030 MOLPORT-009-164-565 Z242561974 ZINC48340314

Inchi
InChI=1S/C30H63O4P/c1-4-7-10-13-16-19-22-25-28-32-35(31,33-29-26-23-20-17-14-11-8-5-2)34-30-27-24-21-18-15-12-9-6-3/h4-30H2,1-3H3
InChkey
KUHPLTBUBAGTDV-UHFFFAOYSA-N
Canonical Smiles
CCCCCCCCCCOP(=O)(OCCCCCCCCCC)OCCCCCCCCCC
Properties
Refractive Index
1.452
HS Code
2919900090
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 4200-55-9 EC: T6661445 ·ECHA C&L Inventory for CAS: CAS: 4200-55-9 EC: T6661445
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:518.804g/mol
  • Molecular Formula:C18H17CLN4O2
  • Compound Is Canonicalized:True
  • Exact Mass:518.446
  • Monoisotopic Mass:518.446
  • Complexity:382
  • Rotatable Bond Count:30
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:44.8A^2
  • Heavy Atom Count:35
  • 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: AAADcfB4OAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAACAACACggAICAAAAARAA QAAAAIAAAAAAAAAAAAAAAAAAAAIAAAAAAAAEAAAAAAGAwKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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