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Home> Hot Product Listed S   > STOCK6S-93231
31994-60-2 structure

STOCK6S-93231

Iupac Name:ethyl 2-(3-tert-butyl-4-hydroxyphenoxy)tetradecanoate
CAS No.:31994-60-2
Molecular Weight:420.634
Molecular Formula:C22H19CLFN5 (isomer)
Names and Identifiers
Synonyms

AKOS005660025 c13h16cln3o5s MCULE-9216005037 MOLPORT-008-333-304 MOLPORT-015-160-512 n-(5-chloro-2-hydroxyphenyl)-2-{[(1,1-dioxo-1??-thiolan-3-yl)carbamoyl]amino}acetamide n-(5-chloro-2-hydroxyphenyl)-n~2~-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]glycinamide STK929945

Inchi
InChI=1S/C26H44O4/c1-6-8-9-10-11-12-13-14-15-16-17-24(25(28)29-7-2)30-21-18-19-23(27)22(20-21)26(3,4)5/h18-20,24,27H,6-17H2,1-5H3
InChkey
USQBFMHVASTQGU-UHFFFAOYSA-N
Canonical Smiles
CCCCCCCCCCCCC(C(=O)OCC)OC1=CC(=C(C=C1)O)C(C)(C)C
Properties
Refractive Index
1.49
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 31994-60-2 EC: STOCK6S-93231 ·ECHA C&L Inventory for CAS: CAS: 31994-60-2 EC: STOCK6S-93231
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 4

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

H413 May cause long lasting harmful effects to aquatic life

Precautionary statement(s)
Prevention

P273 Avoid release to the environment.

Response

none

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:420.634g/mol
  • Molecular Formula:C22H19CLFN5
  • Compound Is Canonicalized:True
  • Exact Mass:420.324
  • Monoisotopic Mass:420.324
  • Complexity:443
  • Rotatable Bond Count:17
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:55.8A^2
  • Heavy Atom Count:30
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcfB4OAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADhSgmAIyDoAABgCI AiDSCAICCAAgIAAIiAFGCIgNJjKGMR6CeCCkwBEKuAfIyPCPgQABAAAIAAACAAIAABAAAAAAAAAA AA==
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