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Home> Hot Product Listed S   > SCHEMBL5974274
20427-58-1 structure

SCHEMBL5974274

Iupac Name:zinc;dihydroxide
CAS No.:20427-58-1
Molecular Weight:99.394
Molecular Formula:C16H13N3O2 (isomer)
Names and Identifiers
Synonyms

1-(allyloxy)-octan-2-ol

Inchi
InChI=1S/2H2O.Zn/h2*1H2;/q;;+2/p-2
InChkey
UGZADUVQMDAIAO-UHFFFAOYSA-L
Canonical Smiles
[OH-].[OH-].[Zn+2]
Properties
Vapour
24.5mmHg at 25°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  
FULL JOINT 0_10 view >
Registered companies:
Registrant / Supplier details Latest dossier received
SAFT SAS 2013
more >
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 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H400 Very toxic to aquatic life

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:99.394g/mol
  • Molecular Formula:C16H13N3O2
  • Compound Is Canonicalized:True
  • Exact Mass:97.935
  • Monoisotopic Mass:97.935
  • Complexity:0
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:2A^2
  • Heavy Atom Count:3
  • 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:3
  • CACTVS Substructure Key Fingerprint: AAADcQAAMAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
 
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