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Home> Hot Product Listed T   > T6571469
1324-35-2 structure

T6571469

Iupac Name:1,2-dibromopyranthrene-8,16-dione
CAS No.:1324-35-2
Molecular Weight:564.232
Molecular Formula:C9H9BRN2S (isomer)
Names and Identifiers
Synonyms

1-(5-chlorothiophene-2-carbonyl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine MCULE-7517023600 MOLPORT-009-524-453 Z167639708 ZINC44890379

Inchi
InChI=1S/C30H12Br2O2/c31-22-10-9-16-21-12-14-5-7-18-25-20(15-3-1-2-4-17(15)29(18)33)11-13-6-8-19(26(21)24(13)23(14)25)30(34)27(16)28(22)32/h1-12H
InChkey
HJICBVMRKHYRDH-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C2C(=C1)C3=CC4=C5C6=C(C=CC(=C36)C2=O)C=C7C5=C(C=C4)C(=O)C8=C7C=CC(=C8Br)Br
Properties
Vapour
6.84E-25mmHg at 25°C
Refractive Index
1.911
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 0_10 view >
Registered companies:
Registrant / Supplier details Latest dossier received
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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:564.232g/mol
  • Molecular Formula:C9H9BRN2S
  • Compound Is Canonicalized:True
  • Exact Mass:563.918
  • Monoisotopic Mass:561.92
  • Complexity:902
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:34.1A^2
  • Heavy Atom Count:34
  • 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: AAADccB4MAAAGAAAAAAAAAAAAAAAAAAAAAAwYMGDAAAAAADBVAAAGgBAAAABrASAmAAwAMAAAACI AqBSAAACAAAkAAQIiAEAAOgIIDKAFRCAIQAggAAIi5cIiMCOwgACEAAQgAGEAAQgACEAAgAAAAAA AA==
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