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Home> Hot Product Listed P   > Pyridazine,3-bromo-6-methyl-, hydrochloride (1:1)
1917-44-8 structure

Pyridazine,3-bromo-6-methyl-, hydrochloride (1:1)

Iupac Name:2,6-diphenyl-1H-1,3,5-triazin-4-one
CAS No.:1917-44-8
Molecular Weight:249.273
Molecular Formula: (isomer)
Names and Identifiers
Synonyms

Pyridazine,3-bromo-6-methyl-, monohydrochloride (9CI)

Inchi
InChI=1S/C15H11N3O/c19-15-17-13(11-7-3-1-4-8-11)16-14(18-15)12-9-5-2-6-10-12/h1-10H,(H,16,17,18,19)
InChkey
KODLDJGSBFMSDG-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C=C1)C2=NC(=O)N=C(N2)C3=CC=CC=C3
Properties
Melting Point
294-295℃
Boiling Point
320.2°Cat760mmHg
Vapour
2.52E-06mmHg at 25°C
Refractive Index
1.662
Flash Point
287.9°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 JOINT INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
BASF Lampertheim GmbH 2012
BASF SE 2012
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

No signal word.

Hazard statement(s)

H411 Toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P273 Avoid release to the environment.

Response

P391 Collect spillage.

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:249.273g/mol
  • Molecular Formula:
  • Compound Is Canonicalized:True
  • Exact Mass:249.09
  • Monoisotopic Mass:249.09
  • Complexity:366
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:53.8A^2
  • Heavy Atom Count:19
  • 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: AAADccBzIAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAAABQAAAHgAQAAAADACBGAAxAILAAACo AiJiNACCAAEgAAAJiAAgBJgIIKKAmRGEIAhggACIiAcQgAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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