3-Bromoquinoline

Base Information

• Chemical Name: 3-Bromoquinoline
• CAS No.: 5332-24-1
• Molecular Formula: C9H6BrN
• Molecular Weight: 208.057
• Hs Code.: 29334900
• European Community (EC) Number: 226-237-1
• NSC Number: 3995
• UNII: ZRP57JF73Z
• DSSTox Substance ID: DTXSID0063787
• Nikkaji Number: J208.079F
• Wikidata: Q72512468
• ChEMBL ID: CHEMBL41490
• Mol file: 5332-24-1.mol

Synonyms:3-BROMOQUINOLINE;5332-24-1;Quinoline, 3-bromo-;3-Bromoquinliine;3-Bromo-quinoline;3-Bromo quinoline;AI3-16560;NSC 3995;NSC-3995;EINECS 226-237-1;MFCD00006767;3-bromoquinolin;3-(bromo)quinoline;3-(bromo) quinoline;Quinolin-3-yl bromide;3-Bromoquinoline, 98%;UPCMLD00WMAL447;ZRP57JF73Z;CHEMBL41490;SCHEMBL271715;DTXSID0063787;NSC3995;AMY13913;STR02922;AKOS005203034;AB00810;AC-2815;CCG-339800;CS-W019978;PS-4091;A7761;B1013;FT-0615253;EN300-32027;AC-907/25014225;W-105751;Z337707764

Chemical Property of 3-Bromoquinoline

Chemical Property:

• Appearance/Colour: colorless to light yellow liquid
• Vapor Pressure: 1.54E-09mmHg at 25°C
• Melting Point: 13-15 °C(lit.)
• Refractive Index: 1.6640
• Boiling Point: 275.7 °C at 760 mmHg
• PKA: 2.69(at 25℃)
• Flash Point: 120.6 °C
• PSA: 12.89000
• Density: 1.564 g/cm³
• LogP: 2.99730
• Storage Temp.: Keep Cold
• Water Solubility.: 103mg/L at 25℃
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 206.96836
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

99% ^*data from raw suppliers

3-Bromoquinoline ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Quinolines
• Canonical SMILES: C1=CC=C2C(=C1)C=C(C=N2)Br
• Uses: For pharmaceuticals Medicine, pesticide intermediates

Technology Process of 3-Bromoquinoline

There total 25 articles about 3-Bromoquinoline 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: 96.0%

3-bromoquinoline N-oxide (22615-00-5) → 3-bromoquinoline (5332-24-1)

Guidance literature:

With sodium hydroxide; Bakers'yeast; In ethanol; water; for 1h; Heating;

DOI:10.1016/S0040-4039(96)02464-1

Reference yield: 84.5%

quinoline hydrochloride (530-64-3) → 3-bromoquinoline (5332-24-1)

Guidance literature:

With bromine; In water; nitrobenzene; benzene;

Reference yield: 82.2%

2-Bromo-malonaldehyde (2065-75-0) + aniline (62-53-3) → 3-bromoquinoline (5332-24-1)

Guidance literature:

2-Bromo-malonaldehyde; With sodium hydroxide; In water;

aniline; With hydrogen bromide; acetic acid; In ethanol; Reflux;

upstream raw materials:

quinoline

3-bromo-quinolin-4-ylamine

quinoline hydrochloride

1-benzoyl-3-bromo-2-cyano-1,2,3,4-tetrahydro-4-methoxyquinoline

Downstream raw materials:

1-quinolin-3-yl-ethanone

3-phenylquinoline

quinoline-3-carboxylic acid

3-(2-methylphenyl)quinoline

Refernces

• 1、 -. "Synthesis method of 3-bromoquinoline compound". Paragraph 0025; 0028-0031. . Retrieved 2019/07/04.
• 2、 Hu, Kong-Qiu,Huang, Zhi-Wei,Zhang, Zhi-Hui,Mei, Lei,Qian, Bing-Bing,Yu, Ji-Pan,Chai, Zhi-Fang,Shi, Wei-Qun. "Actinide-Based Porphyrinic MOF as a Dehydrogenation Catalyst". supporting information. p. 16766 - 16769. Retrieved 2018/10/31.