2,3,5,6-Tetrafluorobenzyl alcohol

Base Information

• Chemical Name: 2,3,5,6-Tetrafluorobenzyl alcohol
• CAS No.: 4084-38-2
• Molecular Formula: C7H4OF4
• Molecular Weight: 180.102
• Hs Code.: 2906299090
• European Community (EC) Number: 609-872-2,443-840-7
• DSSTox Substance ID: DTXSID20370090
• Nikkaji Number: J837.771E
• Wikidata: Q72505105
• Mol file: 4084-38-2.mol

Synonyms:2,3,5,6-tetrafluorobenzyl alcohol;FB-AI compound

Chemical Property of 2,3,5,6-Tetrafluorobenzyl alcohol

Chemical Property:

• Appearance/Colour: white to almost white crystals
• Vapor Pressure: 0.657mmHg at 25°C
• Melting Point: 32-38 °C
• Refractive Index: 1.456
• Boiling Point: 178.204 °C at 760 mmHg
• PKA: 12.94±0.10(Predicted)
• Flash Point: 61.576 °C
• PSA: 20.23000
• Density: 1.5 g/cm³
• LogP: 1.73530
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 180.01982740
• Heavy Atom Count: 12
• Complexity: 140

Purity/Quality:

98.00% ^*data from raw suppliers

2,3,5,6-Tetrafluorobenzyl Alcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26

MSDS Files:

Useful:

• Canonical SMILES: C1=C(C(=C(C(=C1F)F)CO)F)F

Technology Process of 2,3,5,6-Tetrafluorobenzyl alcohol

There total 19 articles about 2,3,5,6-Tetrafluorobenzyl alcohol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

2,3,5,6-tetrafluorobenzaldehyde (19842-76-3) → (2,3,5,6-tetrafluorophenyl)methanol (4084-38-2)

Guidance literature:

With acetic acid; aluminum nickel; In 1,4-dioxane; water;

Reference yield: 100.0%

2,3,5,6-tetrafluorobenzonitrile (5216-17-1) → 2,3,5,6-tetrafluorobenzaldehyde (19842-76-3) + (2,3,5,6-tetrafluorophenyl)methanol (4084-38-2)

Guidance literature:

With acetic acid; aluminum nickel; In 1,4-dioxane; water;

Reference yield: 100.0%

2,3,5,6-tetrafluorobenzaldehyde (19842-76-3) + nickel (7440-02-0) + 1,2-dichloro-benzene (95-50-1) → (2,3,5,6-tetrafluorophenyl)methanol (4084-38-2)

Guidance literature:

upstream raw materials:

methanol

Pentafluorobenzene

(2,3,4,5,6-pentafluorophenyl)methanol

Pentafluorobenzonitrile

Downstream raw materials:

tetrahydro-2-[(2,3,5,6-tetrafluorophenyl)methoxy]-2H-pyran

1,2,4,5-tetrafluoro-3-(methoxymethyl)benzene

Refernces

• 1、 Farnham, Andrew W.,Khambay, Bhupinder P. S.. "The Pyrethrins and Related Compounds. Part XL - Structure-Activity Relationships of Pyrethroidal Esters with Acyclic Side Chains in the Alcohol Component against Resistant Strains of Housefly (Musca domestica)". . p. 277 - 282. Retrieved 1995.
• 2、 Asai, Daisuke,Inoue, Naoko,Sugiyama, Makiko,Fujita, Tsugumi,Matsuyama, Yutaka,Liu, Xiaohui,Matsushima, Ayami,Nose, Takeru,Costa, Tommaso,Shimohigashi, Yasuyuki. "Direct evidence of edge-to-face CH/π interaction for PAR-1 thrombin receptor activation". . . Retrieved 2021/11/20.
• 3、 -. "A substituted aromatic alcohols of the economical efficiency of the synthesis process (by machine translation)". . . Retrieved 2019/05/15.