ChemicalBook > CAS DataBase List > 3-Iodophenol
3-Iodophenol
3-Iodophenol
- CAS No.626-02-8
- Chemical Name:3-Iodophenol
- CBNumber:CB2461111
- Molecular Formula:C6H5IO
- Formula Weight:220.01
- MOL File:626-02-8.mol
3-Iodophenol Property
- 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
- form Crystalline Powder, Crystals and/or Chunks
- pka 9.03(at 25℃)
- color Yellow-beige to gray
- Water Solubility slightly soluble
- Sensitive Light Sensitive
- BRN 2039304
- InChIKey FXTKWBZFNQHAAO-UHFFFAOYSA-N
- CAS DataBase Reference 626-02-8(CAS DataBase Reference)
- EWG's Food Scores 1
- FDA UNII YU584Z4CZN
- NIST Chemistry Reference Phenol, 3-iodo-(626-02-8)
- EPA Substance Registry System m-Iodophenol (626-02-8)
- UNSPSC Code 12352100
- NACRES NA.22
Safety
- Hazard Codes :Xi
- Risk Statements :36/37/38
- Safety Statements :26-37/39-24/25
- RIDADR :UN 3335
- WGK Germany :2
- RTECS :SL5490000
- TSCA :T
- HazardClass :IRRITANT
- HS Code :29081900
-
NFPA 704:
1 2 0
-
Symbol(GHS)
- Signal wordWarning
- Hazard statements H315-H319-H335
- Precautionary statements P261-P264-P271-P280-P302+P352-P305+P351+P338
3-Iodophenol Price
More Price(7)
- Brand: Sigma-Aldrich(India)
- Product number: I10007
- Product name : 3-Iodophenol
- Purity: 98%
- Packaging: 5G
- Price: ₹1764.48
- Updated: 2022/06/14
- Buy: Buy
- Brand: Sigma-Aldrich(India)
- Product number: I10007
- Product name : 3-Iodophenol
- Purity: 98%
- Packaging: 25G
- Price: ₹4763
- Updated: 2022/06/14
- Buy: Buy
- Brand: ALFA India
- Product number: ALF-A11155-30
- Product name : 3-Iodophenol, 98%
- Purity:
- Packaging: 250g
- Price: ₹37679
- Updated: 2022/05/26
- Buy: Buy
- Brand: ALFA India
- Product number: ALF-A11155-18
- Product name : 3-Iodophenol, 98%
- Purity:
- Packaging: 50g
- Price: ₹9840
- Updated: 2022/05/26
- Buy: Buy
- Brand: ALFA India
- Product number: ALF-A11155-09
- Product name : 3-Iodophenol, 98%
- Purity:
- Packaging: 10g
- Price: ₹2860
- Updated: 2022/05/26
- Buy: Buy
3-Iodophenol Chemical Properties,Usage,Production
- Chemical Properties yellow-beige to grey crystalline powder, crystals
- Uses 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.
- 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).
3-Iodophenol Preparation Products And Raw materials
Raw materials
Preparation Products
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