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Home> Hot Product Listed 5   > 5-(2-CHLOROPHENYL)CYCLOHEXANE-1,3-DIONE
4706-78-9 structure

5-(2-CHLOROPHENYL)CYCLOHEXANE-1,3-DIONE

Iupac Name:potassium;dodecyl sulfate
CAS No.:4706-78-9
Molecular Weight:304.486
Molecular Formula:C13H11F3O2 (isomer)
Names and Identifiers
Synonyms

Albb-006852

Inchi
InChI=1S/C12H26O4S.K/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1
InChkey
ONQDVAFWWYYXHM-UHFFFAOYSA-M
Canonical Smiles
CCCCCCCCCCCCOS(=O)(=O)[O-].[K+]
Properties
Density
0.905
Flash Point
104.3°C
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  
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Registered companies:
Registrant / Supplier details Latest dossier received
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MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Respiratory sensitization, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled

Precautionary statement(s)
Prevention

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P284 [In case of inadequate ventilation] wear respiratory protection.

Response

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P342+P311 If experiencing respiratory symptoms: Call a POISON CENTER/doctor/...

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:304.486g/mol
  • Molecular Formula:C13H11F3O2
  • Compound Is Canonicalized:True
  • Exact Mass:304.111
  • Monoisotopic Mass:304.111
  • Complexity:249
  • Rotatable Bond Count:12
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:74.8A^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:2
  • CACTVS Substructure Key Fingerprint: AAADceBwOABAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACACggAICAAAAAAAA AAAAADAAAAAAAAAAAAAAAAAAAAIAAAAAAAAEAAAAAAGAwKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:+86-571-57153510
  • Fax:
  • Tel:86-21-13482627603
  • Fax:
  • Tel:1-631-5046093
  • Fax:1-631-6147828
  • Tel:81 3 5550 3721
  • Fax:81 3 5550 1988
  • Tel:+86-020-84553577
  • Fax:+86-20-84553788
 
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