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Home> Hot Product Listed 3   > 3-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-2h-indazol-2-yl]butanenitrile
36577-48-7 structure

3-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-2h-indazol-2-yl]butanenitrile

Iupac Name:zirconium(4+);dicarbonate
CAS No.:36577-48-7
Molecular Weight:211.24
Molecular Formula:C9H13NO2 (isomer)
Names and Identifiers
Synonyms

3-(3-(trifluoromethyl)-4,5,6,7-tetrahydro-2h-indazol-2-yl)butanenitrile AK429904 AKOS000319216 en300-231201 MOLPORT-000-900-490 pc410060 SBB024556 STK351526 zx-rl006681

Inchi
InChI=1S/2CH2O3.Zr/c2*2-1(3)4;/h2*(H2,2,3,4);/q;;+4/p-4
InChkey
XJUNLJFOHNHSAR-UHFFFAOYSA-J
Canonical Smiles
C(=O)([O-])[O-].C(=O)([O-])[O-].[Zr+4]
Properties
Vapour
69700mmHg at 25°C
Reach Info
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:211.24g/mol
  • Molecular Formula:C9H13NO2
  • Compound Is Canonicalized:True
  • Exact Mass:209.874
  • Monoisotopic Mass:209.874
  • Complexity:18.8
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:126A^2
  • Heavy Atom Count:9
  • 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: AAADcQBAOAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAACAAAAAAI AAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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  • Fax:+86-0592-5567629
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  • Fax:86-22-58823400
  • Tel:+86-(532)-86893005
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