2-Chloro-6-fluorobenzyl alcohol

Base Information

• Chemical Name: 2-Chloro-6-fluorobenzyl alcohol
• CAS No.: 56456-50-9
• Molecular Formula: C7H6 Cl F O
• Molecular Weight: 160.575
• Hs Code.: 2906299090
• European Community (EC) Number: 260-192-9
• UNII: 5K0SC480HM
• DSSTox Substance ID: DTXSID30205006
• Nikkaji Number: J340I
• Wikidata: Q27262475
• Mol file: 56456-50-9.mol

Synonyms:2-Chloro-6-fluorobenzyl alcohol;56456-50-9;(2-Chloro-6-fluorophenyl)methanol;2-fluoro-6-chlorobenzyl alcohol;Benzenemethanol, 2-chloro-6-fluoro-;2-Chloro-6-fluorobenzylalcohol;C7H6ClFO;2-Chloro-6-fluorobenzylic alcohol;UNII-5K0SC480HM;5K0SC480HM;EINECS 260-192-9;C7-H6-Cl-F-O;SCHEMBL697704;6-fluoro-2-chlorobenzyl alcohol;ZZFCUESFXBCRSC-UHFFFAOYSA-;DTXSID30205006;CK2440;MFCD00004608;(2-Chloro-6-fluorophenyl)methanol #;AKOS000249061;CS-W016150;GF-0090;2-Chloro-6-fluorobenzyl alcohol, 97%;AC-26175;C1638;FT-0611856;EN300-49125;A22490;3-FLUORO-4-METHOXYLBIPHENYL-4-CARBOXYLICACID;W-105515;Q27262475

Chemical Property of 2-Chloro-6-fluorobenzyl alcohol

Chemical Property:

• Appearance/Colour: WHITE SOLID, POWDER OR CRYSTALS AND/OR
• Vapor Pressure: 0.0434mmHg at 25°C
• Melting Point: 40-43 °C(lit.)
• Boiling Point: 227.6 °C at 760 mmHg
• PKA: 13.51±0.10(Predicted)
• Flash Point: 113 ºC
• PSA: 20.23000
• Density: 1.344 g/cm³
• LogP: 1.97140
• XLogP3: 1.6
• 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%,99%, ^*data from raw suppliers

2-Chloro-6-fluorobenzyl alcohol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)Cl)CO)F

Technology Process of 2-Chloro-6-fluorobenzyl alcohol

There total 2 articles about 2-Chloro-6-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%

2-chloro-6-fluorobenzaldehyde (387-45-1) → (2-chloro-6-fluorophenyl)methanol (56456-50-9)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 0 ℃;

DOI:10.1002/cmdc.201600491

Reference yield:

2-chloro-6-fluorobenzoic acid (434-75-3) → (2-chloro-6-fluorophenyl)methanol (56456-50-9)

Guidance literature:

With diborane; In tetrahydrofuran; at 0 - 20 ℃; for 3h;

DOI:10.1016/j.ejmech.2018.12.028

Reference yield: 98.0%

(2-chloro-6-fluorophenyl)methanol (56456-50-9) → 2-chloro-6-fluorobenzaldehyde (387-45-1)

Guidance literature:

With 4-methyl-morpholine; chromium(VI) oxide; hydrogenchloride; In diethyl ether; chloroform; at 65 ℃; for 0.1h; microwave irradiation;

DOI:10.1080/00397910802219502

upstream raw materials:

2-chloro-6-fluorobenzaldehyde

2-chloro-6-fluorobenzoic acid

Downstream raw materials:

2-chloro-6 fluorobenzyl chloride

2-Chlor-α,6-difluortoluol

2-chloro-6-fluorobenzyl trifluoromethanesulfinate

2-chloro-6-fluorobenzaldehyde

Refernces

• 1、 -. "RORγ MODULATORS". Page/Page column 21; 38. . Retrieved 2018/04/13.
• 2、 He, Chao,Zhang, Xiaohui,Huang, Ruofeng,Pan, Jing,Li, Jiaqiang,Ling, Xuege,Xiong, Yan,Zhu, Xiangming. "Synthesis of structurally diverse diarylketones through the diarylmethyl sp3 C-H oxidation". supporting information. p. 4458 - 4462. Retrieved 2014/08/05.