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Home> Encyclopedia >   /  Organic Salt  /  Other Inorganic Salts  /  Pharmaceutical Intermediates  /  Catalysts  /  Agrochemical Intermediates
6-Iodo-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-carboxaldehyde structure
6-Iodo-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-carboxaldehyde structure

6-Iodo-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-carboxaldehyde

Iupac Name:potassium;acetate
CAS No.:127-08-2
Molecular Weight:98.14232
1. Names and Identifiers
1.1 Name
6-Iodo-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-carboxaldehyde
1.2 CAS No.
127-08-2
1.3 CID
517044
1.4 Molecular Formula
C16H12F3NO (isomer)
1.5 Inchi
InChI=1S/C2H4O2.K/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1
1.6 InChkey
SCVFZCLFOSHCOH-UHFFFAOYSA-M
1.7 Canonical Smiles
CC(=O)[O-].[K+]
1.8 Isomers Smiles
CC(=O)[O-].[K+]
2. 3D Conformer
3. Properties
3.1 Melting Point
292℃
3.2 Vapour
13.9mmHg at 25°C
3.3 Refractive Index
n20/D 1.370
4. Safety and Handling
4.1 Risk Statements
R36/37/38
4.2 Safety Statements
S24/25
5. 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

6. Computational chemical data
  • Molecular Weight:98.14232g/mol
  • Molecular Formula:C16H12F3NO
  • Exact Mass:97.977011
  • Monoisotopic Mass:97.977011
  • Complexity:34.6
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:40.1
  • 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:2
8. Question & Answer
  • In the synthesis of N-ethoxycarbonyl L-proline methyl ester from L-proline and ethyl chloroformate, I use K X 2 C O X 3 K X 2 C O X 3 to neutralize H C l H C l . Can I use C H X 3 C O X 2 K C H X 3 C O X 2 K instead of K X 2 C O X 3 K X 2 C O X 3 ? I think I cannot use it because it reacts with H C...
  • Prepared by acid-base neutralization reaction between potassium hydroxide or potassium carbonate and acetic acid, potassium acetate (KOAc) was white crystalline powder in form. Salty in taste. KOAc is hygroscopic. It is easily soluble in water, ethanol and methanol, but insoluble in ether. The solu...
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