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Home > Encyclopedia > 1-[4-(Phenylthio)phenyl]-1,2-octanedione 2-(O-benzoyloxime)

1-[4-(Phenylthio)phenyl]-1,2-octanedione 2-(O-benzoyloxime)

1-[4-(Phenylthio)phenyl]-1,2-octanedione 2-(O-benzoyloxime) structure

1-[4-(Phenylthio)phenyl]-1,2-octanedione 2-(O-benzoyloxime) 

structure
  • CAS No:

    253585-83-0

  • Formula:

    C27H27NO3S

  • Chemical Name:

    1-[4-(Phenylthio)phenyl]-1,2-octanedione 2-(O-benzoyloxime)

  • Synonyms:

    1,2-Octanedione,1-[4-(phenylthio)phenyl]-,2-(O-benzoyloxime);1-[4-(Phenylthio)phenyl]-1,2-octanedione 2-(O-benzoyloxime);CGI 124;Irgacure OXE 01;2-(O-Benzoyloxime)-1-[4-(phenylthio)phenyl]-1,2-octanedione;OXE 01;Irgacure OX 01;2-(Benzoyloxyimino)-1-[4-(phenylthio)phenyl]-1-octanone;Oxime 01;OXE 1;1,2-Octanedione 1-[4-(phenylthio)phenyl]-,2-(O-benzoyloxime);[1-(4-Phenylsulfanylbenzoyl)heptylideneamino] benzoate;1-[4-(Phenylthio)phenyl]-1,2-octanedione 2-(O-benzoyloxime);618447-34-0

  • Categories:

    Active Pharmaceutical Ingredients  >  Other Chemical Drugs

1-[4-(Phenylthio)phenyl]-1,2-octanedione 2-(O-benzoyloxime) Basic Attributes

445.57300

445.57

454-610-0

DTXSID1074969

2930909090

Characteristics

81.03000

7.20390

1.112g/cm3

594.723ºC

313.478ºC

1.579

0mmHg at 25°C

Safety Information

|Warning|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501|Aggregated GHS information provided by 88 companies from 1 notifications to the ECHA C&L Inventory.|Aggregated GHS information provided by 2 companies from 1 notifications to the ECHA C&L Inventory.

1-[4-(Phenylthio)phenyl]-1,2-octanedione 2-(O-benzoyloxime) Use and Manufacturing

1,2-Octanedione, 1-[4-(phenylthio)phenyl]-, 2-(O-benzoyloxime): ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Computed Properties

Molecular Weight:445.6
XLogP3:7.8
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:12
Exact Mass:445.17116490
Monoisotopic Mass:445.17116490
Topological Polar Surface Area:81
Heavy Atom Count:32
Complexity:600
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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