5-Bromo-2-hydroxybenzyl alcohol

Base Information

• Chemical Name: 5-Bromo-2-hydroxybenzyl alcohol
• CAS No.: 2316-64-5
• Molecular Formula: C7H7BrO2
• Molecular Weight: 203.035
• Hs Code.: 29081990
• European Community (EC) Number: 219-026-0
• NSC Number: 13010
• UNII: Y1UZ53815E
• DSSTox Substance ID: DTXSID30177739
• Nikkaji Number: J7.397K
• Wikidata: Q27294152
• Mol file: 2316-64-5.mol

Synonyms:5-Bromo-2-hydroxybenzyl alcohol;2316-64-5;4-Bromo-2-(hydroxymethyl)phenol;Bromosaligenin;5-Bromosalicyl alcohol;Bromsalizol;5-Bromosaligenin;2-Hydroxymethyl-4-bromophenol;Benzenemethanol, 5-bromo-2-hydroxy-;5-Bromo-2-hydroxybenzylalcohol;4-Bromo-2-hydroxymethylphenol;C7H7BrO2;5-Bromosalicylalcohol;Benzyl alcohol, 5-bromo-2-hydroxy-;MFCD00004618;UNII-Y1UZ53815E;Y1UZ53815E;EINECS 219-026-0;NSC-13010;PHOSPHINEE;BROMOSALIGENIN [MI];SCHEMBL25335;5-bromo-2hydroxybenzyl alcohol;4-Bromo-2-hydroxymethyl-phenol;2-hydroxy-5-bromobenzyl alcohol;3-bromo-6-hydroxybenzyl alcohol;DTXSID30177739;5-bromo-2-hydroxy benzyl alcohol;2-?Hydroxymethyl-?4-?bromophenol;NSC13010;NSC 13010;AKOS001058079;CS-W015481;FS-2627;AC-23739;SY017692;5-Bromo-2-hydroxybenzyl alcohol, >=98%;AM20061034;B2164;FT-0620175;EN300-17620;W-107419;Q27294152;Z56969308

Chemical Property of 5-Bromo-2-hydroxybenzyl alcohol

Chemical Property:

• Appearance/Colour: white to light brown crystalline powder or flakes
• Vapor Pressure: 0.00205mmHg at 25°C
• Melting Point: 110-112 °C(lit.)
• Refractive Index: 1.636
• Boiling Point: 327.437 °C at 760 mmHg
• PKA: 9.36±0.18(Predicted)
• Flash Point: 151.829 °C
• PSA: 40.46000
• Density: 1.723 g/cm³
• LogP: 1.64700
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: water: soluble0.7% at 25°C(lit.)
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 201.96294
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

97% ^*data from raw suppliers

5-Bromo-2-hydroxybenzyl Alcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Br)CO)O
• Uses: 5-Bromo-2-hydroxybenzyl alcohol was used in the synthesis of:7-bromo-2,3-diphenyl-5H-imidazo[2,1-b][1,3]benzoxazine6-bromo-2-octyl-4H-1,3,2-benzodioxaphosphorin 2-oxide4-bromo-2-(5-iodo-1H-indol-3-ylmethyl)- phenol

Technology Process of 5-Bromo-2-hydroxybenzyl alcohol

There total 28 articles about 5-Bromo-2-hydroxybenzyl 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: 83.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 4-bromo-phenol (106-41-2) → 5-bromo-2-hydroxybenzyl alcohol (2316-64-5)

Guidance literature:

With sodium metaborate tetrahydrate; In water; at 40 ℃; for 16h; regioselective reaction; Green chemistry;

DOI:10.1039/c4ob00228h

Reference yield: 76.5%

5-bromosalicyclic acid (89-55-4) → 5-bromo-2-hydroxybenzyl alcohol (2316-64-5)

Guidance literature:

With LiAlH₄;

Reference yield: 74.0%

3-(pyrrolidin-1-yl)propanenitrile (26165-45-7) → 3-(1-pyrrolidinyl)propylamine (23159-07-1)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 5.5h; Heating;

upstream raw materials:

4-bromo-2-(hydroxymethyl)phenol

salicylic alcohol

5-bromosalicyclic acid

3,4,5-tribromo-2-hydroxy-benzaldehyde

Downstream raw materials:

5-bromo-2-methoxy-benzyl alcohol

5-bromosalicyclaldehyde

5,5'-dibromo-2,2'-dihydroxy-diphenyl-methane

2-(2'-hydroxymethyl-4'-bromophenoxy)-1-phenylethanone