Basic information
- Standard SMILES
Ic1ccncc1- InChIKey
RTLUPHDWSUGAOS-UHFFFAOYSA-N- Molecular formula
- C5H4IN
- Average molar mass
- 205 g/mol
- Monoisotopic mass
- 204.93884713
Names & identifiers
- Preferred name
- 4-Iodopyridine
- IUPAC
- 4-iodopyridine
- English name
- 4-Iodopyridine
- Molecular formula
- C5H4IN
- Molecular weight
- 205
Names & synonyms
4-Iodopyridine15854-87-2Pyridine, 4-iodo-DTXSID10346082RefChem:524269DTXCID00297155640-182-4InChI=1/C5H4IN/c6-5-1-3-7-4-2-5/h1-4p-Iodopyridine4-iodo pyridineMFCD02093937CHEMBL4546345
Show more names
4-Iodopyride4-lodopyridineBUTTPARK 96\50-184-pyridine iodide4-Iodopyridine>Pyridine, 4-iodo-4-Iodopyridine 96%4-Iodine Pyridine
PS-4411I0673EN300-127380AC-907/250043894-Iodopyridine #4-Iodopyridine, 96%FT-0601232A809941
Database identifiers
- CAS
15854-87-2- PubChem CID
- 609492
- DTXSID
DTXSID10346082- ChEMBL
CHEMBL4546345- EC Number
- 640-182-4
- Nikkaji
- J264.358H
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 50
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 94 · 94-99 °C
- Boiling point
- 212 · 212~215℃
- Density
- 1.081 g/cm3 · 1.081g/cm3
- refractive index
- 1.529 · 1.5290
- storage temp.
- -20 °C · -20°C
- solubility
- soluble in Methanol
- pka
- 1 · pK1:4.02(+1) (20°C)
- form
- Crystals or Powder
- color
- Pale brown to dark green-brown
- Sensitive
- Light Sensitive
- BRN
- 1594 · 1594
- InChI
- InChI=1S/C5H4IN/c6-5-1-3-7-4-2-5/h1-4H
- InChIKey
- RTLUPHDWSUGAOS-UHFFFAOYSA-N
- SMILES
- C1=NC=CC(I)=C1
- CAS DataBase Reference
- 15854 · 15854-87-2(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38-41-37/38-22
- Safety Statements
- 26 · 26-36-39
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant/Light Sensitive
- HS Code
- 29333990 · 29333990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (86%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 50 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (86%)
Safety data
- wgk
- 3
- hs_code
- 29333990
- risk_code
- 36/37/38-41-37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_note
- Irritant/Light Sensitive
- safety_code
- 26-36-39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses4-Iodopyridine is used as a reagent in the synthesis of indazolylamides as glucocorticoid receptor agonists.
Upstream & downstream products
Upstream raw materials
Downstream products
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