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Home> Hot Product Listed C   > CHEMBL453759
1332-37-2 structure

CHEMBL453759

Iupac Name:iron(3+);oxygen(2-)
CAS No.:1332-37-2
Molecular Weight:159.69
Molecular Formula:C14H16BRNO3 (isomer)
Names and Identifiers
Synonyms

2-(4-chloro-phenoxymethyl)-4,5-dihydro-oxazole

Inchi
InChI=1S/2Fe.3O/q2*+3;3*-2
InChkey
LIKBJVNGSGBSGK-UHFFFAOYSA-N
Canonical Smiles
[O-2].[O-2].[O-2].[Fe+3].[Fe+3]
Properties
Melting Point
1538 °C
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
26
Transport
UN 1376
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 1332-37-2 EC: CHEMBL453759 ·ECHA C&L Inventory for CAS: CAS: 1332-37-2 EC: CHEMBL453759
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:159.69g/mol
  • Molecular Formula:C14H16BRNO3
  • Compound Is Canonicalized:True
  • Exact Mass:159.855
  • Monoisotopic Mass:159.855
  • Complexity:0
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:3A^2
  • Heavy Atom Count:5
  • 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: AAADcQAAMAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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