4-Iodobenzyl alcohol Chemical Properties

Melting point:

72-75 °C (lit.)

Boiling point:

136°C/5mmHg(lit.)

Density 

1.867±0.06 g/cm3(Predicted)

storage temp. 

Keep in dark place,Sealed in dry,Room Temperature

solubility 

soluble in Methanol

pka

14.16±0.10(Predicted)

form 

Crystalline Powder

color 

White to pale yellow

Sensitive 

Light Sensitive

BRN 

1931621

InChI

InChI=1S/C7H7IO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2

InChIKey

CNQRHSZYVFYOIE-UHFFFAOYSA-N

SMILES

C1(CO)=CC=C(I)C=C1

CAS DataBase Reference

18282-51-4(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-36

WGK Germany 

3

RTECS 

DO8318020

HS Code 

29062990

Storage Class

11 - Combustible Solids

Hazard Classifications

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

4-Iodobenzyl alcohol Usage And Synthesis

Chemical Properties

Solid

Uses

4-Iodobenzyl alcohol may be used in the preparation of:

• S-(4-Iodobenzyl) thioacetate
• S-(4-iodobenzyl) thiobenzoate
• fatty acid 4-iodobenzyl esters (FAIBEs)
• (4-trimethylsilylethynylphenyl)methanol

General Description

4-Iodobenzyl alcohol is a benzyl alcohol derivative.

Synthesis

Under the atmosphere of inert gas N2, 4-iodobenzoic acid (124.0 mg, 0.5 mmol) was added to the reaction flask after dehydration and deoxygenation treatment, pinacol borane (290 ??L, 2 mmol) was added by pipette gun, and the reaction was carried out at room temperature for 12 h. The reaction was removed from the glove box, and the reaction was analyzed by using homotrimethoxylbenzene (84.09 mg, 0.5 mmol) as the internal standard, and the sample was prepared by CDCl3 was dissolved, stirred for 10 min, sampled and prepared for NMR. The 1H yield was calculated to be 99%. NMR data of the product:1HNMR (400MHz, CDCl3): ??7.57(d,2H,ArCH),7.02(d,2H,ArCH),4.78(s,2H,OCH2),1.18(s,36H,CH3). To the sampling residue, 1 g of silica gel was added, and the borate ester was further hydrolyzed to alcohol by reacting at 50 ??C for 3 h with 3 mL of methanol as solvent. At the end of the reaction, the borate ester was extracted with ethyl acetate three times, and the organic layers were combined, dried with anhydrous sodium sulfate, and the solvent was removed under reduced pressure, and the product was purified by column chromatography on silica gel (100-200 mesh), and the ethyl acetate/hexanes (1:5) mixture was used as the eluent to obtain the pure Burkholderol was obtained in 94% isolated yield.

4-Iodobenzyl alcohol(18282-51-4)Related Product Information

• N1,N3-Bis(1,3-dihydroxypropan-2-yl)-5-(2-hydroxypropanamido)-2,4,6-triiodoisophthalamide
• 4-Nitrobenzyl alcohol
• Ethyl acetate
• Ioversol
• Iodixanol
• 4-Hydroxybenzyl alcohol
• Methyl 4-iodobenzoate
• sodium metrizoate
• IODIPAMIDE
• 3-HYDROXY-2,4,6-TRIIODOBENZOIC ACID
• 3-Amino-2,4,6-triiodobenzoic acid
• 3,4,5-Triiodobenzoic acid
• Ethyl 4-iodobenzoate
• Diatrizoate sodium
• MEGLUMINE DIATRIZOATE
• Acetrizoic acid
• DIATRIZOIC ACID
• 4-Iodobenzoic acid