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Home> Hot Product Listed 2   > 2H-Pyran-5-carbonitrile,3,4-dihydro-2,2,3,3-tetramethoxy-4,6-diphenyl-
90356-78-8 structure

2H-Pyran-5-carbonitrile,3,4-dihydro-2,2,3,3-tetramethoxy-4,6-diphenyl-

Iupac Name:N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanamide
CAS No.:90356-78-8
Molecular Weight:398.376
Molecular Formula:C21H22O7 (isomer)
Names and Identifiers
Synonyms

2,2,3,3-tetramethoxy-4,6-diphenyl-3,4-dihydro-2h-pyran-5-carbonitrile 5,5,6,6-tetramethoxy-2,4-diphenyl-4h-pyran-3-carbonitrile AC1L7OL4 AG-650/41069173 dfjctpyzxbgxnl-uhfffaoysa-n DTXSID90320663 HE065771 MCULE-7587032894 MOLPORT-002-806-663 NSC 362891 nsc362891 nsc-362891

Inchi
InChI=1S/C18H14F4N2O2S/c1-17(26,10-27-14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)
InChkey
GCGWWKKSGPETMI-UHFFFAOYSA-N
Canonical Smiles
CC(CSC1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O
Properties
Density
0.939
Boiling Point
157.8°C at 760 mmHg
Refractive Index
1.585
Flash Point
122.9°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  
INTERMEDIATE INDIVIDUAL INTERMEDIATE_USE_ONLY view >
INTERMEDIATE JOINT INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
TEVA Pharmaceutical Works Private Ltd. Co. 2010
Gedeon Richter Plc. 2015
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin sensitization, Category 1B

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H317 May cause an allergic skin reaction

H401 Toxic to aquatic life

Precautionary statement(s)
Prevention

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

P272 Contaminated work clothing should not be allowed out of the workplace.

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

P273 Avoid release to the environment.

Response

P302+P352 IF ON SKIN: Wash with plenty of water/...

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

P321 Specific treatment (see ... on this label).

P362+P364 Take off contaminated clothing and wash it before reuse.

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:398.376g/mol
  • Molecular Formula:C21H22O7
  • Compound Is Canonicalized:True
  • Exact Mass:398.071
  • Monoisotopic Mass:398.071
  • Complexity:571
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:8
  • Topological Polar Surface Area:98.4A^2
  • Heavy Atom Count:27
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccB7McBAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHwQQCAAADEyF2BiywYLAAgiY BiVSUAKiAAAhChAIiBlAZIgKoCLgkZGEIAhglAD4yA8QgIAOiAAAQAAQAAAQAACAACAAAAAAAAAA AA==
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