3-Fluorobenzyl alcohol

Base Information

• Chemical Name: 3-Fluorobenzyl alcohol
• CAS No.: 456-47-3
• Molecular Formula: C7H7FO
• Molecular Weight: 126.13
• Hs Code.: 29062900
• European Community (EC) Number: 207-265-3
• NSC Number: 158273
• UNII: RH5YXR9U9B
• DSSTox Substance ID: DTXSID30196566
• Nikkaji Number: J60D
• Wikidata: Q18472862
• Mol file: 456-47-3.mol

Synonyms:3-Fluorobenzyl alcohol;456-47-3;(3-Fluorophenyl)methanol;m-Fluorobenzyl alcohol;Benzenemethanol, 3-fluoro-;3-Fluorobenzylalcohol;3-Fluorobenzylic alcohol;Benzyl alcohol, m-fluoro-;MFCD00004631;RH5YXR9U9B;EINECS 207-265-3;NSC-158273;3-florobenzyl alcohol;3-fluoro-benzylalcohol;3-Fluoro Benzylalcohol;C(O)c1cccc(F)c1;3-flouro-benzyl alcohol;3-fluoro-benzyl alcohol;3-(Fluoro)benzylalcohol;UNII-RH5YXR9U9B;(3-fluorophenyl) methanol;(3-fluorophenyl)-methanol;(3-Fluoro-phenyl)-methanol;(3-Fluorophenyl)methanol #;SCHEMBL38187;3-Fluorobenzyl alcohol, 98%;DTXSID30196566;CHEBI:156103;NSC158273;AKOS000119384;CS-W021926;NSC 158273;AC-26191;SY008446;BB 0220499;F0370;FT-0615724;EN300-20242;A22402;J-512546;Q18472862;Z104477458

Chemical Property of 3-Fluorobenzyl alcohol

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 0.159mmHg at 25°C
• Melting Point: 115-119 °C
• Refractive Index: n20/D 1.513(lit.)
• Boiling Point: 204.5 °C at 760 mmHg
• PKA: 14.09±0.10(Predicted)
• Flash Point: 90.6 °C
• PSA: 20.23000
• Density: 1.173 g/cm³
• LogP: 1.31800
• Storage Temp.: Store below +30°C.
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 126.048093005
• Heavy Atom Count: 9
• Complexity: 85

Purity/Quality:

99.0% ^*data from raw suppliers

3-Fluorobenzyl alcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi; C
• Hazard Codes: Xi,C
• Statements: 14-34-36/37
• Safety Statements: 24/25-45-36/37/39-27-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)F)CO
• Uses: 3-Fluorobenzyl alcohol was used as substrate to study pH dependence of aryl-alcohol oxidase activity.

Technology Process of 3-Fluorobenzyl alcohol

There total 27 articles about 3-Fluorobenzyl 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%

3-Fluorobenzaldehyde (456-48-4) → 3-fluoro-benzenemethanol (456-47-3)

Guidance literature:

With hydrogen; Et4N; In 1,2-dimethoxyethane; at 100 ℃; for 13h; under 38000 Torr;

DOI:10.1016/S0040-4039(00)92043-4

Reference yield: 93.0%

methyl 3-fluorobenzoate (455-68-5) → 3-fluoro-benzenemethanol (456-47-3)

Guidance literature:

With sodium tetrahydroborate; [fac-8-(2-diphenylphosphinoethyl)amidotrihydroquinoline]RuH(PPh)₃(CO); hydrogen; In tetrahydrofuran; at 120 ℃; for 12h; under 37503.8 Torr; Inert atmosphere; Autoclave;

DOI:10.1039/c6cy02413k

Reference yield: 89.0%

1-(Bromomethyl)-3-fluorobenzene (456-41-7) → 3-fluoro-benzenemethanol (456-47-3)

Guidance literature:

With oxygen; eosin y; In dimethyl sulfoxide; at 25 ℃; for 12h; Irradiation;

DOI:10.1039/c4ra09190f

upstream raw materials:

m-fluorobenzyl chloride

meta-fluorobenzyl acetate

tert-butyl alcohol

ethanol

Downstream raw materials:

3-fluorobenzyl acrylate

((3-fluorobenzyl)oxy)triisopropylsilane

2-fluoro-4-(hydroxymethyl)benzoic acid

2-(3-fluorobenzyloxy)isoindole-1,3-dione

Refernces

• 1、 Gholap, Sandeep Suryabhan,Dakhil, Abdullah Al,Chakraborty, Priyanka,Li, Huaifeng,Dutta, Indranil,Das, Pradip K.,Huang, Kuo-Wei. "Efficient and chemoselective hydrogenation of aldehydes catalyzed by well-defined PN3-pincer manganese(ii) catalyst precursors: An application in furfural conversion". supporting information. p. 11815 - 11818. Retrieved 2021/11/30.
• 2、 Battu, Satyanarayana,Joolakanti, Hima Bindhu,Kamepalli, Ramanjaneyulu,Miryala, Jeevanreddy. "Synthesis, Docking, and Biological activities of novel Metacetamol embedded [1,2,3]-triazole derivatives". . . Retrieved 2021/06/18.