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Home> Encyclopedia >   /  Other Organic Chemicals  /  Pharmaceutical Intermediates  /  Organic Intermediate  /  Syntheses Material Intermediates  /  Organic Intermediates
 2-iodo-4-pyridyl chloride  structure
 2-iodo-4-pyridyl chloride  structure

2-iodo-4-pyridyl chloride

Iupac Name:anthracene-9-carbaldehyde
CAS No.:642-31-9
Molecular Weight:206.244
1. Names and Identifiers
1.1 Name
2-iodo-4-pyridyl chloride
1.2 Synonyms

4-Chloro-2-iodopyridine Pyridine, 4-chloro-2-iodo-

1.3 CAS No.
642-31-9
1.4 CID
69504
1.5 Molecular Formula
C13H24N2O4 (isomer)
1.6 Inchi
InChI=1S/C15H10O/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-10H
1.7 InChkey
YMNKUHIVVMFOFO-UHFFFAOYSA-N
1.8 Canonical Smiles
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C=O
1.9 Isomers Smiles
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C=O
2. 3D Conformer
3. Properties
3.1 Density
1.261±0.06 g/cm3(Predicted)
3.2 Melting Point
103-107℃
3.3 Boiling Point
257.4±40.0 °C(Predicted)
3.4 Refractive Index
1.745
4. Safety and Handling
4.1 Risk Statements
R36/37/38
4.2 Safety Statements
S24/25
4.3 Transport
25kgs
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)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

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:206.244g/mol
  • Molecular Formula:C13H24N2O4
  • Compound Is Canonicalized:True
  • XLogP3-AA:4
  • Exact Mass:206.073
  • Monoisotopic Mass:206.073
  • Complexity:238
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:17.1A^2
  • Heavy Atom Count:16
  • 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:1
  • CACTVS Substructure Key Fingerprint: AAADccBwIAAAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAADBVAAAGgAAAAAADACgmAIwAMAAAACI AihSgAACAAAkAAAIiAEAAMgIIDKAFRCAIQAggAAIiQcIiMCOwAACAAAQAACAAAQAACAAAAAAAAAA AA==
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