5-Fluoro-2-mercaptobenzyl alcohol

Base Information

Chemical Name:5-Fluoro-2-mercaptobenzyl alcohol
CAS No.:870703-84-7
Molecular Formula:C₇H₇FOS
Molecular Weight:158.196
Hs Code.:
European Community (EC) Number:623-166-1
DSSTox Substance ID:DTXSID00584537
Wikidata:Q82476211
Mol file:870703-84-7.mol

Synonyms:5-Fluoro-2-mercaptobenzyl alcohol;870703-84-7;(5-fluoro-2-mercaptophenyl)methanol;(5-Fluoro-2-sulfanylphenyl)methanol;5-Fluoro-2-mercaptophenylmethanol;SCHEMBL1424873;DTXSID00584537;IGEXHILBHGLPBB-UHFFFAOYSA-N;(5-Fluoro-2-mercapto-phenyl)-methanol;5-Fluoro-2-mercaptobenzyl alcohol, 97%

Suppliers and Price of 5-Fluoro-2-mercaptobenzyl alcohol

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Sigma-Aldrich
5-Fluoro-2-mercaptobenzyl alcohol 97%
1g
$ 221.00

Total 5 raw suppliers

Chemical Property of 5-Fluoro-2-mercaptobenzyl alcohol

Chemical Property:

Vapor Pressure:0.004mmHg at 25°C
Melting Point:60-64 °C(lit.)
Refractive Index:1.596
Boiling Point:267.404°C at 760 mmHg
Flash Point:115.522°C
PSA：59.03000
Density:1.317g/cm³
LogP:1.60670
Storage Temp.:2-8°C
XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:158.02016418
Heavy Atom Count:10
Complexity:110

Purity/Quality:

99% ^*data from raw suppliers

5-Fluoro-2-mercaptobenzyl alcohol 97% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=C(C=C1F)CO)S

Technology Process of 5-Fluoro-2-mercaptobenzyl alcohol

There total 1 articles about 5-Fluoro-2-mercaptobenzyl 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:

: 120121-07-5
5-fluoro-2-mercapto-benzoic acid

: 870703-84-7
(5-fluoro-2-mercaptophenyl)-methanol

Guidance literature:: With lithium aluminium tetrahydride; In tetrahydrofuran; for 3h; Ambient temperature;
DOI:10.1021/jm00126a011

Reference yield:

: 6399-81-1
triphenylphosphine hydrobromide

: 870703-84-7
(5-fluoro-2-mercaptophenyl)-methanol

: 943994-84-1
(5-fluoro-2-mercaptobenzyl)(triphenyl)phosphonium bromide

Guidance literature:: In acetonitrile; for 4h;

Reference yield:

: 870703-84-7
(5-fluoro-2-mercaptophenyl)-methanol

: 160503-79-7
5-fluoro-2-(methylsulfanyl)benzaldehyde

Guidance literature:: Multi-step reaction with 2 steps

1: 1) sodium methoxide / 1) N,N-dimethylformamide, 0 deg C, 30 min., 2) 30 min

2: manganese dioxide / CH₂Cl₂ / 6 h / Ambient temperature

With manganese(IV) oxide; sodium methylate; In dichloromethane;
DOI:10.1021/jm00126a011