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Home> Hot Product Listed F   > F2135-0884
1332-07-6 structure

F2135-0884

Iupac Name:trizinc;diborate
CAS No.:1332-07-6
Molecular Weight:313.79
Molecular Formula:C10H6CLFN2O2 (isomer)
Names and Identifiers
Synonyms

6-(5-amino-3-methyl-1h-pyrazol-1-yl)-1-(4-chlorophenyl)-1h-pyrazolo[3,4-d]pyrimidin-4(5h)-one AKOS024627424 MCULE-1131066601 MOLPORT-009-688-833 ZINC35587882

Inchi
InChI=1S/2BO3.3Zn/c2*2-1(3)4;;;/q2*-3;3*+2
InChkey
BIKXLKXABVUSMH-UHFFFAOYSA-N
Canonical Smiles
B([O-])([O-])[O-].B([O-])([O-])[O-].[Zn+2].[Zn+2].[Zn+2]
Properties
Melting Point
980 deg C
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 1332-07-6 EC: F2135-0884 ·ECHA C&L Inventory for CAS: CAS: 1332-07-6 EC: F2135-0884
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H400 Very toxic to aquatic life

H410 Very 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:313.79g/mol
  • Molecular Formula:C10H6CLFN2O2
  • Compound Is Canonicalized:True
  • Exact Mass:311.772
  • Monoisotopic Mass:309.776
  • Complexity:8
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:138A^2
  • Heavy Atom Count:11
  • 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:5
  • CACTVS Substructure Key Fingerprint: AAADcQMAOAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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