1-Butylpyridinium bromide

Base Information

• Chemical Name: 1-Butylpyridinium bromide
• CAS No.: 874-80-6
• Molecular Formula: C9H14BrN
• Molecular Weight: 216.121
• Hs Code.: 29339900
• European Community (EC) Number: 628-966-4
• UNII: F72FD1BSWG
• DSSTox Substance ID: DTXSID2047933
• Wikidata: Q27894568
• ChEMBL ID: CHEMBL3186783
• Mol file: 874-80-6.mol

Synonyms:1-Butylpyridinium bromide;874-80-6;N-Butylpyridinium bromide;Butylpyridinium bromide;1-butylpyridin-1-ium bromide;1-butylpyridin-1-ium;bromide;Pyridinium, 1-butyl-, bromide;F72FD1BSWG;DTXSID2047933;MFCD00671496;Pyridinium, 1-butyl-, bromide (1:1);C9H14BrN;N-Butylpyridiniumbromide;UNII-F72FD1BSWG;N-n-butylpyridinium bromide;SCHEMBL382846;1- n -Butylpyridinium Bromide;CHEMBL3186783;DTXCID8027909;KVBQNFMTEUEOCD-UHFFFAOYSA-M;Tox21_200610;AKOS015833019;1-Butylpyridinium bromide, >=99.0%;CS-W014862;NCGC00258164-01;AS-14271;CAS-874-80-6;SY033834;B1743;FT-0633052;C93518;A842237;Q-102716;Q27894568

Chemical Property of 1-Butylpyridinium bromide

Chemical Property:

• Appearance/Colour: white to beige crystalline powder or crystals
• Melting Point: 104-107 °C
• PSA: 3.88000
• LogP: -1.22180
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Hygroscopic
• Water Solubility.: almost transparency
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 215.03096
• Heavy Atom Count: 11
• Complexity: 74.8

Purity/Quality:

99% ^*data from raw suppliers

1-Butylpyridinium Bromide ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC[N+]1=CC=CC=C1.[Br-]

Technology Process of 1-Butylpyridinium bromide

There total 3 articles about 1-Butylpyridinium bromide 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%

pyridine (110-86-1) + 1-bromo-butane (109-65-9) → 1-butylpyridinium bromide (874-80-6)

Guidance literature:

at 100 ℃; for 40h; Sealed tube;

DOI:10.1021/acs.oprd.8b00036

Reference yield: 92.2%

pyridine (110-86-1) + tetrabutylammomium bromide (1643-19-2) → 1-butylpyridinium bromide (874-80-6)

Guidance literature:

In acetonitrile; at 75 ℃; for 8h;

Reference yield:

→ 1-butylpyridinium bromide (874-80-6)

Guidance literature:

upstream raw materials:

pyridine

1-bromo-butane

tetrabutylammomium bromide

Downstream raw materials:

azulene

1-chloroacetyl-azulene

1-formylazulene

2-butoxypyridine

Refernces

• 1、 Wang, Hongmei,Zhang, Zulei,Wang, Hailong,Guo, Liping,Li, Lei. "Metal β-diketonate complexes as highly efficient catalysts for chemical fixation of CO2 into cyclic carbonates under mild conditions". . p. 15970 - 15976. Retrieved 2019.
• 2、 Sun, Jialin,Dai, Jingtao,Liu, Rui,Yang, Xiaowei,Chen, Jian. "Imidacloprid photo-degradation on Ag/AgBr modified TiO2: critical impacts and quantitative study on mechanism". . p. 149 - 164. Retrieved 2020.
• 3、 Zhao, Dishun,Wang, Yanan,Duan, Erhong. "Oxidative desulfurization of fuel oil by pyridinium-based ionic liquids". . p. 4351 - 4357. Retrieved 2009.
• 4、 Fischer, Peter,Küttinger, Michael,Loichet Torres, Paulette A.,Meyer, Emeline. "Properties of Bromine Fused Salts Based on Quaternary Ammonium Molecules and Their Relevance for Use in a Hydrogen Bromine Redox Flow Battery". supporting information. . Retrieved 2022/02/21.
• 5、 Ketsomboon, Nutthanicha,Saeeng, Rungnapha,Srisook, Klaokwan,Sirion, Uthaiwan. "Convenient synthesis of long alkyl-chain triazolylglycosides using ionic liquid as dual promoter-solvent: Readily access to non-ionic triazolylglycoside surfactants for evaluation of cytotoxic activity". . . Retrieved 2021/08/26.