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Home> Hot Product Listed 5   > 5,6-dimethyl-3-{[3-(propan-2-yloxy)propyl]amino}pyridazine-4-carbonitrile
5350-57-2 structure

5,6-dimethyl-3-{[3-(propan-2-yloxy)propyl]amino}pyridazine-4-carbonitrile

Iupac Name:benzhydrylidenehydrazine
CAS No.:5350-57-2
Molecular Weight:196.253
Molecular Formula:C17H13FN2OS (isomer)
Names and Identifiers
Synonyms

MCULE-8450991960 MOLPORT-020-109-664 Z318739390 ZINC44711352

Inchi
InChI=1S/C13H12N2/c14-15-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,14H2
InChkey
QYCSNMDOZNUZIT-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C=C1)C(=NN)C2=CC=CC=C2
Properties
Melting Point
95-99℃
Refractive Index
1.677
HS Code
29280090
Safety and Handling
Risk Statements
R22
Safety Statements
S22;S24/25
HazardClass
6.1
PackingGroup
III
Transport
25kgs
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
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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)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

H317 May cause an allergic skin reaction

H411 Toxic to aquatic life with long lasting effects

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:196.253g/mol
  • Molecular Formula:C17H13FN2OS
  • Compound Is Canonicalized:True
  • XLogP3-AA:2.8
  • Exact Mass:196.1
  • Monoisotopic Mass:196.1
  • Complexity:191
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:38.4A^2
  • Heavy Atom Count:15
  • 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: AAADccBzAAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHAAYAAAADAiBGAAwAIACAACg AyBiAAACAAAgAAAIiAAgAJgIIKKAERCAIAAggAAIiAcAgMAOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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