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Home> Hot Product Listed 4   > 4-[[4-(Dimethylamino)phenyl]methylene]-5-thioxo-2-imidazolidinone
84-66-2 structure

4-[[4-(Dimethylamino)phenyl]methylene]-5-thioxo-2-imidazolidinone

Iupac Name:diethyl benzene-1,2-dicarboxylate
CAS No.:84-66-2
Molecular Weight:222.24
Molecular Formula:C14H11CLO2 (isomer)
Names and Identifiers
Synonyms

4-[(4-dimethylaminophenyl)methylidene]-5-sulfanylideneimidazolidin-2-one 4-[[4- phenyl]methylene]-5-thioxo-2-imidazolidinone AC1N8IMQ MCULE-6837466853

Inchi
InChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3
InChkey
FLKPEMZONWLCSK-UHFFFAOYSA-N
Canonical Smiles
CCOC(=O)C1=CC=CC=C1C(=O)OCC
Properties
Density
1.246
Melting Point
-3 C
Vapour
1 mm Hg ( 100 °C)
Refractive Index
1.501-1.503
HS Code
29173400
Safety and Handling
Safety Statements
S24/25
PackingGroup
Z01
Transport
无资料?
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 >
FULL INDIVIDUAL 0_10 view >
INTERMEDIATE JOINT INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
COIM SpA 2011
Global Essence UK Limited 2013
Lapiz Europe Limited as Only Representative for Chemidye Manufacturing Company 2010
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:222.24g/mol
  • Molecular Formula:C14H11CLO2
  • Compound Is Canonicalized:True
  • XLogP3-AA:2.5
  • Exact Mass:222.089
  • Monoisotopic Mass:222.089
  • Complexity:223
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:52.6A^2
  • Heavy Atom Count:16
  • 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:1
  • CACTVS Substructure Key Fingerprint: AAADccBwOAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAAAAAADACgmAIyCIAABACI AiDSCAACAAAkAAAIiAEACMgIJjKANRiCMQAkwAEIqYfLyKCOgAAAAAAQAAAAAAAAACAAAAAAAAAA AA==
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