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Home> Hot Product Listed T   > T6599065
83-73-8 structure

T6599065

Iupac Name:5,7-diiodoquinolin-8-ol
CAS No.:83-73-8
Molecular Weight:396.954
Molecular Formula:C24H20CLFN4O3S (isomer)
Names and Identifiers
Synonyms

MCULE-1702058946 MOLPORT-009-555-845 n,4-dimethyl-2-[(pyrazin-2-yl)formamido]pentanamide Z438105710

Inchi
InChI=1S/C9H5I2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
InChkey
UXZFQZANDVDGMM-UHFFFAOYSA-N
Canonical Smiles
C1=CC2=C(C(=C(C=C2I)I)O)N=C1
Properties
Melting Point
200℃
Refractive Index
1.828
Safety and Handling
Risk Statements
R22
Safety Statements
26-36/37/39
HazardClass
6.1(b)
PackingGroup
III
Transport
3249
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 10_100 view >
Registered companies:
Registrant / Supplier details Latest dossier received
Sustainability Support Services (Europe) AB 2014
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:396.954g/mol
  • Molecular Formula:C24H20CLFN4O3S
  • Compound Is Canonicalized:True
  • Exact Mass:396.846
  • Monoisotopic Mass:396.846
  • Complexity:191
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:33.1A^2
  • Heavy Atom Count:13
  • 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: AAADcYByIAAAAwAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACx8AAAHgAgCAAADAzDngQ8xvIIEgCg AzRnRASCgCAxYiAI2CA9bJgKJuLSkZOEcAhkwBHY2AeQwLAOAAABAAACEAAAAAIAAAQgAAAAAAAA AA==
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