Basic information
- CAS
529-28-2- Standard SMILES
COc1ccccc1I- InChIKey
DVQWNQBEUKXONL-UHFFFAOYSA-N- Molecular formula
- C7H7IO
- Average molar mass
- 234.03 g/mol
- Monoisotopic mass
- 233.95416284
Overview
1-iodo-2-methoxybenzene is an organoiodine compound that is iodobenzene substituted by methoxy group at psotion 2. It is an aromatic ether and an organoiodine compound.
Names & identifiers
- Preferred name
- o-Iodoanisole
- IUPAC
- 1-iodo-2-methoxybenzene
- English name
- 2-Iodoanisole
- Molecular formula
- C7H7IO
- Molecular weight
- 234.03
Names & synonyms
2-Iodoanisole1-Iodo-2-methoxybenzene529-28-2o-IodoanisoleBenzene, 1-iodo-2-methoxy-2-Methoxyiodobenzeneo-Anisyl iodideAnisole, o-iodo-2-Iodophenyl methyl ethero-methoxyiodobenzene2-METHOXYPHENYL IODIDE2-METHOXY-1-IODOBENZENE
Show more names
Iodanisol2-Iodoanisole97%2-Iodoanisole 97%2-Iodoanisole,99%
NSC 9259NSC-9259EINECS 208-456-4O-IODOMETHOXYBENZENE75Y5532R8OO-IODOANISOLE [MI]O-METHOXYPHENYL IODIDEDTXSID1060184
Database identifiers
- CAS
529-28-2- PubChem CID
- 68257
- DTXSID
DTXSID1060184- ChEBI
CHEBI:16355- UNII
- 75Y5532R8O
- EC Number
- 208-456-4
- Nikkaji
- J96.172H
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 85
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Halogenated Anisoles
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physical DescriptionYellow liquid; Darkened by light exposure; [Merck Index] Clear light yellow liquid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 588.5 °C · 588.5 °C
- Boiling point
- 125 · 125-126 °C19 mm Hg(lit.)
- Density
- 1.799 g/mL · 1.799 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.622(lit.)
- Flash point
- 110 °C · >110°C
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- alcohol: miscible(lit.)
- form
- Liquid
- Specific Gravity
- 1.799 · 1.799
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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See Anisole.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 8
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29093090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1-iodo-2-methoxy-: INACTIVE
Applications
Usessuzuki reaction
Uses2-Iodoanisole has been used in palladium/copper-catalyzed synthesis of o-(1-alkynyl)anisoles.
General Description2-Iodoanisole participates in palladium catalyzed enantioselective Heck arylation of 2,3-dihydrofuran in the presence of chiral ionic liquids containing L-prolinate and L-lactate anions and non-chiral quaternary ammonium cations.
Upstream & downstream products
Downstream products
Related reactions
85 records
Compound notes
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