3-Iodophenol
- CAS NO.:626-02-8
- Empirical Formula: C6H5IO
- Molecular Weight: 220.01
- MDL number: MFCD00002261
- EINECS: 210-923-2
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-05-28 00:34:50
What is 3-Iodophenol?
Chemical properties
yellow-beige to grey crystalline powder, crystals
The Uses of 3-Iodophenol
3-Iodophenol is used in esterification, electrophilic aromatic substitution, alkylation, nucleophilic aromatic substitution, Mitsunobu, transition metal-catalyzed cross-coupling, acylation, and oxidation reactions.
Definition
ChEBI: 3-iodophenol is an iodophenol.
What are the applications of Application
3-Iodophenol is used in the synthesis of centrally acting H2 receptor histamine antagonists. Also used in the preparation of various cell-permeable probes for biological assays.
Synthesis
3-Iodophenol Synthesis:
1£?Add potassium tert-butoxide (67.3 mg, 0.60 mmol, 2.0 eq.), oxime (74.5 mg, 0.60 mmol, 2.0 eq.), and 4??-bromoacetophenone (59.7 mg, 0.30 mmol, 1.0 eq.) to an oven-dry screw-cap 8mL reaction vial.
2£?Add anhydrous DMSO (1.5 mL) to the solids a magnetic stir bar.
3£?Close the vial and sparge the reaction mixture with N2 for 15 minutes, seal with parafilm.
4£?Stir the reaction mixture and heat at 100??C in a metal heating block for 16 h.
5£?Dilute the mixture with CH2Cl2 or EtOAc (20 mL), pour into a mixture of water (10mL) and brine (5 mL), acidify with 10% aq HCl (~1 mL).
6£?Collect the organic phase and extract the aqueous phase with CH2Cl2 or EtOAc (3?á20mL).
7£?Combine the organics, dry (MgSO4) and concentrate under reduced pressure.
8£?Purify the crude product to give 3-Iodophenol by column chromatography (30% EtOAc in hexane).
Properties of 3-Iodophenol
| Melting point: | 42-44 °C (lit.) |
| Boiling point: | 190 °C / 100mmHg |
| Density | 1.8665 (estimate) |
| Flash point: | >230 °F |
| storage temp. | 2-8°C |
| solubility | Chloroform, Ethyl Acetate |
| pka | 9.03(at 25℃) |
| form | Crystalline Powder, Crystals and/or Chunks |
| color | Yellow-beige to gray |
| Water Solubility | slightly soluble |
| Sensitive | Light Sensitive |
| BRN | 2039304 |
| CAS DataBase Reference | 626-02-8(CAS DataBase Reference) |
| NIST Chemistry Reference | Phenol, 3-iodo-(626-02-8) |
| EPA Substance Registry System | m-Iodophenol (626-02-8) |
Safety information for 3-Iodophenol
| Signal word | Warning |
| Pictogram(s) |
![]() Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 3-Iodophenol
| InChIKey | FXTKWBZFNQHAAO-UHFFFAOYSA-N |
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