5-Bromo-2-hydroxybenzonitrile

Base Information

• Chemical Name: 5-Bromo-2-hydroxybenzonitrile
• CAS No.: 40530-18-5
• Molecular Formula: C7H4BrNO
• Molecular Weight: 198.019
• Hs Code.: 2926909090
• European Community (EC) Number: 254-958-1
• UNII: GNM9XBK3UN
• DSSTox Substance ID: DTXSID60193563
• Nikkaji Number: J332.439G
• Wikidata: Q72456842
• ChEMBL ID: CHEMBL2323844
• Mol file: 40530-18-5.mol

Synonyms:5-Bromo-2-hydroxybenzonitrile;40530-18-5;2-Hydroxy-5-bromobenzonitrile;4-Bromo-2-cyanophenol;GNM9XBK3UN;Benzonitrile, 5-bromo-2-hydroxy-;UNII-GNM9XBK3UN;EINECS 254-958-1;MFCD00143428;5-bromo-2-hydroxy-benzonitrile;5-BROMOSALICYLONITRILE;UUJ;5-bromosalicylnitrile;5-bromohydroxybenzonitrile;SCHEMBL247900;CHEMBL2323844;DTXSID60193563;PVCONXMDUZOPJH-UHFFFAOYSA-N;CK2124;STK049876;5-Bromo-2-hydroxybenzonitrile, 97%;AKOS000268605;CS-W007609;FS-1077;AC-26112;SY019183;A1680;AM20060052;B2214;FT-0620095;VU0606053-1;EN300-106815;J-516943;F3228-0193;Z1203161758

Chemical Property of 5-Bromo-2-hydroxybenzonitrile

Chemical Property:

• Appearance/Colour: WHITE TO TAN SOLID, POWDER, CRYSTALS, CRYSTALLINE POWDER AND/OR CHUNKS
• Vapor Pressure: 0.00192mmHg at 25°C
• Melting Point: 160 °C
• Refractive Index: 1.656
• Boiling Point: 282.8 °C at 760 mmHg
• PKA: 6.60±0.18(Predicted)
• Flash Point: 124.8 °C
• PSA: 44.02000
• Density: 1.79 g/cm³
• LogP: 2.02638
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: slightly sol. in Methanol
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 196.94763
• Heavy Atom Count: 10
• Complexity: 162

Purity/Quality:

98% ^*data from raw suppliers

5-Bromo-2-hydroxybenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xi,Xn
• Statements: 20/21/22-36/37/38-22
• Safety Statements: 26-36/37/39-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Br)C#N)O

Technology Process of 5-Bromo-2-hydroxybenzonitrile

There total 16 articles about 5-Bromo-2-hydroxybenzonitrile 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: 95.0%

5-bromosalicyclaldehyde (1761-61-1) → 5-bromo-2-hydroxybenzonitrile (40530-18-5)

Guidance literature:

With formic acid; hydroxylamine hydrochloride; sodium formate; at 100 ℃; for 7h;

Reference yield: 95.0%

5-chloro-2-hydroxybenzonitrile (13589-72-5) → 5-bromo-2-hydroxybenzonitrile (40530-18-5)

Guidance literature:

With hydrogen cation; sodium bromide; for 0.25h; Photolysis;

DOI:10.1039/a900141g

Reference yield: 91.0%

5-bromo-2-methoxybenzonitrile (144649-99-0) → 5-bromo-2-hydroxybenzonitrile (40530-18-5)

Guidance literature:

With boron tribromide; In dichloromethane; at 0 ℃; for 5h; Reflux;

DOI:10.1021/ol401906q

upstream raw materials:

5-bromosalicyclaldehyde

salicylonitrile

5-chloro-2-hydroxybenzonitrile

formaldehyd

Downstream raw materials:

5-bromo-2-hydroxy-benzimidic acid ethyl ester

5-bromo-2-hydroxy-benzamide oxime

4-(3-amino-5-bromo-benzofuran-2-carbonyl)-benzonitrile

5-bromo-2-cyanomethoxy-benzonitrile