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Home> Hot Product Listed T   > T6604339
18105-31-2 structure

T6604339

Iupac Name:bis(trimethylsilyl) hexanedioate
CAS No.:18105-31-2
Molecular Weight:290.506
Molecular Formula:C14H10BRFO2 (isomer)
Names and Identifiers
Synonyms

2-(tert-butylsulfanyl)-n-[2-(1h-pyrazol-1-yl)pyridin-3-yl]acetamide MCULE-8771963217 MOLPORT-009-184-062 Z359417208 ZINC44911153

Inchi
InChI=1S/C12H26O4Si2/c1-17(2,3)15-11(13)9-7-8-10-12(14)16-18(4,5)6/h7-10H2,1-6H3
InChkey
DVGSOFSBBKDKRU-UHFFFAOYSA-N
Canonical Smiles
C[Si](C)(C)OC(=O)CCCCC(=O)O[Si](C)(C)C
Properties
Vapour
0.0362mmHg at 25°C
Refractive Index
1.4275
Safety and Handling
Risk Statements
36/37/38
Safety Statements
26-36
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 18105-31-2 EC: T6604339 ·ECHA C&L Inventory for CAS: CAS: 18105-31-2 EC: T6604339
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:290.506g/mol
  • Molecular Formula:C14H10BRFO2
  • Compound Is Canonicalized:True
  • Exact Mass:290.137
  • Monoisotopic Mass:290.137
  • Complexity:259
  • Rotatable Bond Count:9
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:52.6A^2
  • Heavy Atom Count:18
  • 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: AAADceBwOAwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGhAAAEAACACAgABCCAAAAAEI AACQCAAAAAAAAAAAAAEAAAAAABIAAAAAAAAEAAAAAAGISAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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