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Home> Hot Product Listed A   > AKOS000264792
24577-34-2 structure

AKOS000264792

Iupac Name:[2-ethylhexanoyloxy(dioctyl)stannyl] 2-ethylhexanoate
CAS No.:24577-34-2
Molecular Weight:631.55816
Molecular Formula:C11H20N2S (isomer)
Names and Identifiers
Synonyms

1h-pyrrole-3-carboxylic acid, 1-(3-carboxyphenyl)-2-methyl-5-phenyl-, 3-ethyl ester 3-(3-(ethoxycarbonyl)-2-methyl-5-phenyl-1h-pyrrol-1-yl)benzoic acid 3-(3-ethoxycarbonyl-2-methyl-5-phenylpyrrol-1-yl)benzoic acid 3-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1h-pyrrol-1-yl]benzoic acid 3-[3-(ethoxycarbonyl)-2-methyl-5-phenylpyrrol-1-yl]benzoic acid AK521538 ALBB-020856 BG01638125 mfcd14282096 MOLPORT-015-137-427 ZINC32919437 zx-an036502

Inchi
InChI=1/2C8H16O2.2C8H17.Sn/c2*1-3-5-6-7(4-2)8(9)10;2*1-3-5-7-8-6-4-2;/h2*7H,3-6H2,1-2H3,(H,9,10);2*1,3-8H2,2H3;/rC16H34Sn.2C8H16O2/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;2*1-3-5-6-7(4-2)8(9)10/h3-16H2,1-2H3;2*7H,3-6H2,1-2H3,(H,9,10)
Canonical Smiles
CCCCCCCC[Sn](CCCCCCCC)(OC(=O)C(CC)CCCC)OC(=O)C(CC)CCCC
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Specific target organ toxicity – repeated exposure, Category 2

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

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H373 May cause damage to organs through prolonged or repeated exposure

H413 May cause long lasting harmful effects to aquatic life

Precautionary statement(s)
Prevention

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

P273 Avoid release to the environment.

Response

P314 Get medical advice/attention if you feel unwell.

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:631.55816g/mol
  • Molecular Formula:C11H20N2S
  • Exact Mass:632.382657
  • Monoisotopic Mass:632.382657
  • Complexity:503
  • Rotatable Bond Count:28
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:52.6
  • Heavy Atom Count:37
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:2
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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