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Home> Hot Product Listed Z   > ZINC15444494
57583-34-3 structure

ZINC15444494

Iupac Name:2-ethylhexyl 2-[bis[[2-(2-ethylhexoxy)-2-oxoethyl]sulfanyl]-methylstannyl]sulfanylacetate
CAS No.:57583-34-3
Molecular Weight:743.705
Molecular Formula:C18H23N5O2 (isomer)
Names and Identifiers
Synonyms

1,2-dibromo-4-fluoro-5-isothiocyanatobenzene 3,4-dibromo-6-fluorophenyl isothiocyanate

Inchi
InChI=1S/3C10H20O2S.CH3.Sn/c3*1-3-5-6-9(4-2)7-12-10(11)8-13;;/h3*9,13H,3-8H2,1-2H3;1H3;/q;;;;+3/p-3
InChkey
ACRNSUGLVQJCOM-UHFFFAOYSA-K
Canonical Smiles
CCCCC(CC)COC(=O)CS[Sn](C)(SCC(=O)OCC(CC)CCCC)SCC(=O)OCC(CC)CCCC
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
FULL JOINT 1000_10000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
Baerlocher Italia SPA 2015
Baerlocher UK Ltd. 2015
CHEMICAL INSPECTION & REGULATION SERVICE LIMITED-HANGZHOU TINDALE INDUSTRIES CO., LTD. 2013
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Reproductive toxicity, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H361d

Precautionary statement(s)
Prevention

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

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

Response

P308+P313 IF exposed or concerned: Get medical advice/ attention.

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:743.705g/mol
  • Molecular Formula:C18H23N5O2
  • Compound Is Canonicalized:True
  • Exact Mass:744.257
  • Monoisotopic Mass:744.257
  • Complexity:608
  • Rotatable Bond Count:30
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:9
  • Topological Polar Surface Area:155A^2
  • Heavy Atom Count:41
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:3
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcfB4OABgAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgQAAAAADQCkwAKCCAAABAAI AACQCAAAAAAAAAAAAAAAAAAAAAIAAAACAAAEAAAAAAGAwAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
 
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