2-Iodo-3-methylpyridine
Basic information
- CAS
22282-58-2- Standard SMILES
Cc1cccnc1I- InChIKey
PTBOOHAPESUXGV-UHFFFAOYSA-N- Molecular formula
- C6H6IN
- Average molar mass
- 219.02 g/mol
- Monoisotopic mass
- 218.9545
Names & identifiers
- Preferred name
- 2-Iodo-3-methylpyridine
- IUPAC
- 2-iodo-3-methylpyridine
- English name
- 2-Iodo-3-methylpyridine
- Molecular formula
- C6H6IN
- Molecular weight
- 219.02
Names & synonyms
2-Iodo-3-methylpyridine22282-58-22-Iodo-3-picolineMFCD04039350Pyridine, 2-iodo-3-methyl-2-iodo-3-methyl-pyridine2-iodanyl-3-methyl-pyridineNSC363961A816084CBiol_000900SCHEMBL231088SCHEMBL2669537
Show more names
2-IODO-3-METHYLPYRIDINE 97%2-Iodo-3-methylpyridine ISO 9001：2015 REACH
SCHEMBL72237642-Iodo-3-methylpyridine, 97%DTXSID70320747PTBOOHAPESUXGV-UHFFFAOYSA-NICCB4_000196ICCB6_000285SBB054379AKOS005255135
Database identifiers
- CAS
22282-58-2- PubChem CID
- 339045
- DTXSID
DTXSID70320747- EC Number
- 678-851-8
- Nikkaji
- J2.897.191E
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 74.9
Physicochemical properties
- Boiling point
- 80 °C/0.3mm · 80°C/0.3mm
- Density
- 1.827 g/mL · 1.827 g/mL at 25 °C
- refractive index
- 1.625 · 1.625
- Flash point
- 110 ℃ · >110℃
- storage temp.
- 2 · 2-8°C
- pka
- 2.14 · 2.14±0.10(Predicted)
- form
- liquid
- Appearance
- Colorless to light yellow Liquid
- Sensitive
- Light Sensitive
- BRN
- 5328169 · 5328169
- InChI
- InChI=1S/C6H6IN/c1-5-3-2-4-8-6(5)7/h2-4H,1H3
- InChIKey
- PTBOOHAPESUXGV-UHFFFAOYSA-N
- SMILES
- C1(I)=NC=CC=C1C
- CAS DataBase Reference
- 22282 · 22282-58-2(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 5 · GHS05,GHS07,GHS06
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- hs_code
- 29333990
- risk_code
- 20/21/22-36/37/38-41-37/38-22
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07,GHS06
- hazard_code
- Xi,Xn
- safety_code
- 26-36/37/39-39
- hazard_class
- IRRITANT
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H318-H335-H301-H319
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P280a-P301+P310a-P405-P501a-P261-P280-P305+P351+P338
Chemistry & industry
Applications
Uses2-Iodo-3-methylpyridine is a heterocyclic organic compound and can be used as an intermediate in pharmaceutical synthesis.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…