Basic information
- Standard SMILES
Ic1cccnc1- InChIKey
XDELKSRGBLWMBA-UHFFFAOYSA-N- Molecular formula
- C5H4IN
- Average molar mass
- 205 g/mol
- Monoisotopic mass
- 204.93884713
Names & identifiers
- Preferred name
- 3-Iodopyridine
- IUPAC
- 3-iodopyridine
- English name
- 3-Iodopyridine
- Molecular formula
- C5H4IN
- Molecular weight
- 205
Names & synonyms
3-Iodopyridine1120-90-7Pyridine, 3-iodo-LWL4FC4MZMNSC 5076NSC-5076EINECS 214-322-6DTXSID10149813RefChem:94469DTXCID0072304214-322-6InChI=1/C5H4IN/c6-5-2-1-3-7-4-5/h1-4
Show more names
3-Pyridyl iodide3-lodopyridine3-Iodo Pyrdine3-Iodopyridine>3-Iodopyridine,99%3-Iodopyridine 98%3-Iodopyridine ,98%3-IODOPYRAZOLOPYRIDINE
3-Iodo-pyridine3-Iodo pyridineMFCD000235533-Iodopyridine, 98%CHEMBL54347353-Pyridyl iodide; NSC 5076CS-D1693CL0133
Database identifiers
- CAS
1120-90-7- PubChem CID
- 70714
- DTXSID
DTXSID10149813- ChEMBL
CHEMBL5434735- UNII
- LWL4FC4MZM
- EC Number
- 214-322-6
- Nikkaji
- J203.352F
Properties
Computed structural properties
- XLogP
- 1.8
- 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
- 56
Physicochemical properties
- Melting point
- 53 · 53-56 °C (lit.)
- Boiling point
- 90 · 90-92°C 14mm
- Density
- 1.9668 · 1.9668 (estimate)
- Flash point
- 224 °F · 224 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- powder to crystal
- pka
- 1 · pK1:3.25(+1) (25°C)
- color
- White to Light yellow to Light red
- Sensitive
- Light Sensitive
- BRN
- 106059 · 106059
- InChI
- 1S/C5H4IN/c6-5-2-1-3-7-4-5/h1-4H
- InChIKey
- XDELKSRGBLWMBA-UHFFFAOYSA-N
- SMILES
- Ic1cccnc1
- CAS DataBase Reference
- 1120 · 1120-90-7(CAS DataBase Reference)
- FDA UNII
- 4 FC4MZM · LWL4FC4MZM
- NIST Chemistry Reference
- 3 · Pyridine, 3-iodo-(1120-90-7)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi,T
- Risk Statements
- 36 · 36/37/38-23/24/25
- Safety Statements
- 26 · 26-36-45-36/37/39
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- HazardClass
- IRRITANT, LIGHT SENSITIVE
- HS Code
- 29333990 · 29333990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 51 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29333990
- risk_code
- 36/37/38-23/24/25
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,T
- hazard_note
- Irritant
- safety_code
- 26-36-45-36/37/39
- hazard_class
- IRRITANT, LIGHT SENSITIVE
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses3-Iodopyridine may be used to synthesize following pyridine alkaloids:theonelladins C theonelladins Dniphatesine C xestamine D
Upstream & downstream products
Upstream raw materials
Downstream products
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