Basic information
- CAS
223463-13-6- Standard SMILES
Brc1ccc(I)nc1- InChIKey
HSNBRDZXJMPDGH-UHFFFAOYSA-N- Molecular formula
- C5H3BrIN
- Average molar mass
- 283.89 g/mol
- Monoisotopic mass
- 282.8493592
Names & identifiers
- Preferred name
- 5-Bromo-2-iodopyridine
- IUPAC
- 5-bromo-2-iodopyridine
- English name
- 5-Bromo-2-iodopyridine
- Molecular formula
- C5H3BrIN
- Molecular weight
- 283.89
Names & synonyms
5-Bromo-2-iodopyridine223463-13-6DTXSID40343988RefChem:102134DTXCID90295064606-990-62-iodo-5-bromopyridine2-iodo-5-bromo-pyridineMFCD006915065-Bromo-2-iodo-pyridine2-iodo- -5-bromo pyridineSCHEMBL239871
Show more names
CAS:223463-13-65-Brom-2-iodpyridin5-bromo-2-lodopyridine5-BROMO-2-IDIOPYRIDINE5-CroMo-2-iodopyridine2-iodine-5-broMopyridine5-Bromo-2-Iodopyridine99%
AKOS005137883CS-W002668HY-W002668AS-3077Pyridine, 5-bromo-2-iodo-Pyridine, 5-br(E)-methyl3-(4-bromophenyl)acrylate2-iodo-5-bromo pyridine
Database identifiers
- CAS
223463-13-6- PubChem CID
- 593690
- DTXSID
DTXSID40343988- EC Number
- 606-990-6
- Nikkaji
- J1.495.366C
Properties
Computed structural properties
- XLogP
- 2.2
- 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
- 78.8
Physicochemical properties
- Melting point
- 113 · 113-117 °C (lit.)
- Boiling point
- 258.8 · 258.8±20.0 °C(Predicted)
- Density
- 2.347 · 2.347±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- DMSO, Methanol (Slightly)
- pka
- -0.51 · -0.51±0.10(Predicted)
- form
- Crystalline Powder
- color
- White to beige
- Sensitive
- Light Sensitive
- BRN
- 2119 · 2119
- Stability
- Light Sensitive
- InChI
- InChI=1S/C5H3BrIN/c6-4-1-2-5(7)8-3-4/h1-3H
- InChIKey
- HSNBRDZXJMPDGH-UHFFFAOYSA-N
- SMILES
- C1(I)=NC=C(Br)C=C1
- CAS DataBase Reference
- 223463 · 223463-13-6(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
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
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 49 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29333990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36-37/39
- 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
Chemistry & industry
Applications
Uses5-Bromo-2-iodopyridine may be used in the synthesis of the following:5-bromopyridyl-2-magnesium chloride via reaction with isopropylmagnesium chloride solution5-bromo-2-pyridylzinc iodide via treatment with active zinc in tetrahydrofuran5-bromo-2-(trifluoromethyl)pyridine via halogen/trifluoromethyl displacement reaction(5-bromopyridin-2-yl)zinc(II) chloride via multi-step synthesis5,5′-dibromo-2,2′-bipyridine via multi-step synthesis
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
48 records
Compound notes
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