3-Chloro-5-fluorobenzyl alcohol

Base Information

• Chemical Name: 3-Chloro-5-fluorobenzyl alcohol
• CAS No.: 79944-64-2
• Molecular Formula: C7H6ClFO
• Molecular Weight: 160.575
• Hs Code.: 2906299090
• European Community (EC) Number: 642-802-9
• DSSTox Substance ID: DTXSID70370525
• Wikidata: Q72450654
• Mol file: 79944-64-2.mol

Synonyms:3-Chloro-5-fluorobenzyl alcohol;79944-64-2;(3-chloro-5-fluorophenyl)methanol;3-CHLORO-5-FLUOROBENZYLALCOHOL;SCHEMBL6026873;DTXSID70370525;VJTJBAMDTCIMOB-UHFFFAOYSA-N;? 3-Chloro-5-fluorobenzyl alcohol;(3-chloro-5-fluoro phenyl)methanol;CK2471;MFCD03788554;(3-Chloro-5-fluoro-phenyl)-methanol;AKOS006228001;PS-8774;AC-26177;FT-0692120;A22496;EN300-1967378

Chemical Property of 3-Chloro-5-fluorobenzyl alcohol

Chemical Property:

• Appearance/Colour: Clear yellow liquid
• Vapor Pressure: 0.0524mmHg at 25°C
• Refractive Index: 1.523-1.525
• Boiling Point: 224.3 °C at 760 mmHg
• Flash Point: 89.5 °C
• PSA: 20.23000
• Density: 1.344 g/cm³
• LogP: 1.97140
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 160.0091207
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

98%min ^*data from raw suppliers

3-Chloro-5-fluorobenzylAlcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 36/37/38-22
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Chloro-5-fluorobenzyl alcohol

There total 5 articles about 3-Chloro-5-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: 25.0%

3-chloro-5-(hydroxymethyl)benzenediazonium tetrafluoroborate (90390-48-0) → (3-chloro-5-fluorophenyl)methanol (79944-64-2)

Guidance literature:

Heating;

DOI:10.1021/jm00375a005

Reference yield:

3,5-dinitrobenzyl alcohol (71022-43-0) → (3-chloro-5-fluorophenyl)methanol (79944-64-2)

Guidance literature:

Multi-step reaction with 5 steps

1: 62 percent / (NH₄)2S / methanol / 5 h / Heating

2: 1.) HNO₂, 2.) CuCl₂, CuCl, 12percent aq. HCl / 1.) 0 deg C, 2.) 60 deg C, 1 h

3: 81 percent / Fe, HCl (gas) / ethanol

4: 65 percent / aq. HBF₄, NaNO₂ / -5 °C

5: 25 percent / Heating

With hydrogenchloride; diammonium sulfide; tetrafluoroboric acid; cis-nitrous acid; iron; copper(l) chloride; copper dichloride; sodium nitrite; In methanol; ethanol;

DOI:10.1021/jm00375a005

Reference yield:

(3-chloro-5-nitrophenyl)methanol (79944-62-0) → (3-chloro-5-fluorophenyl)methanol (79944-64-2)

Guidance literature:

Multi-step reaction with 3 steps

1: 81 percent / Fe, HCl (gas) / ethanol

2: 65 percent / aq. HBF₄, NaNO₂ / -5 °C

3: 25 percent / Heating

With hydrogenchloride; tetrafluoroboric acid; iron; sodium nitrite; In ethanol;

DOI:10.1021/jm00375a005

upstream raw materials:

3-chloro-5-(hydroxymethyl)benzenediazonium tetrafluoroborate

3,5-dinitrobenzyl alcohol

(3-chloro-5-nitrophenyl)methanol

3-amino-5-chlorobenzyl alcohol

Downstream raw materials:

(3-Chloro-5-fluoro-benzyl)-methyl-amine

(3-Chloro-5-fluoro-benzyl)-ethyl-amine

(3-Chloro-5-fluoro-benzyl)-propyl-amine

Butyl-(3-chloro-5-fluoro-benzyl)-amine

Refernces