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1-Butylpyridinium bromide is a quaternary ammonium salt with the chemical formula C9H14BrN. It is a white crystalline solid that is soluble in water and organic solvents. 1-Butylpyridinium bromide is widely used as a phase-transfer catalyst in organic synthesis, as well as a surfactant and a corrosion inhibitor. It is also employed in the preparation of ionic liquids and as a reagent in various chemical reactions. Due to its cationic nature, 1-butylpyridinium bromide exhibits antimicrobial properties and is used in some applications as a biocide.

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  • 874-80-6 Structure
  • Basic information

    1. Product Name: 1-Butylpyridinium bromide
    2. Synonyms: 1-N-BUTYLPYRIDINIUM BROMIDE;1-BUTYLPYRIDINIUM BROMIDE;BUTYLPYRIDINIUM BROMIDE;N-BUTYLPYRIDINIUM BROMIDE;N-N-BUTYLPYRIDINIUM BROMIDE;1-Butylpyridinium bromide,98%;1-Butylpyridinium bromide ,99%;1-Butylpyridin-1-iuM broMide
    3. CAS NO:874-80-6
    4. Molecular Formula: Br*C9H14N
    5. Molecular Weight: 216.12
    6. EINECS: 1533716-785-6
    7. Product Categories: Ionic Liquids;Pyridinium Compounds;Pyridinium Compounds (Ionic Liquids);Synthetic Organic Chemistry;Chemical Synthesis;Ionic Liquids;Pyridinium
    8. Mol File: 874-80-6.mol
  • Chemical Properties

    1. Melting Point: 104-107°C
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: White to beige/Crystalline Powder or Crystals
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: Inert atmosphere,Room Temperature
    8. Solubility: N/A
    9. Water Solubility: almost transparency
    10. Sensitive: Hygroscopic
    11. CAS DataBase Reference: 1-Butylpyridinium bromide(CAS DataBase Reference)
    12. NIST Chemistry Reference: 1-Butylpyridinium bromide(874-80-6)
    13. EPA Substance Registry System: 1-Butylpyridinium bromide(874-80-6)
  • Safety Data

    1. Hazard Codes: Xn,Xi
    2. Statements: 22-36/37/38
    3. Safety Statements: 37/39-26
    4. WGK Germany: 3
    5. RTECS:
    6. F: 3-21
    7. HazardClass: N/A
    8. PackingGroup: N/A
    9. Hazardous Substances Data: 874-80-6(Hazardous Substances Data)

874-80-6 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 874-80-6 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 8,7 and 4 respectively; the second part has 2 digits, 8 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 874-80:
(5*8)+(4*7)+(3*4)+(2*8)+(1*0)=96
96 % 10 = 6
So 874-80-6 is a valid CAS Registry Number.
InChI:InChI=1/C9H14N.BrH/c1-2-3-7-10-8-5-4-6-9-10;/h4-6,8-9H,2-3,7H2,1H3;1H/q+1;/p-1

874-80-6 Well-known Company Product Price

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  • TCI America

  • (B1743)  1-Butylpyridinium Bromide  >98.0%(HPLC)(T)

  • 874-80-6

  • 5g

  • 310.00CNY

  • Detail
  • TCI America

  • (B1743)  1-Butylpyridinium Bromide  >98.0%(HPLC)(T)

  • 874-80-6

  • 25g

  • 850.00CNY

  • Detail
  • Alfa Aesar

  • (H26995)  1-n-Butylpyridinium bromide, 99%   

  • 874-80-6

  • 5g

  • 888.0CNY

  • Detail
  • Alfa Aesar

  • (H26995)  1-n-Butylpyridinium bromide, 99%   

  • 874-80-6

  • 50g

  • 2470.0CNY

  • Detail
  • Sigma-Aldrich

  • (00285)  1-Butylpyridiniumbromide  ≥99.0%

  • 874-80-6

  • 00285-5G-F

  • 1,119.69CNY

  • Detail
  • Sigma-Aldrich

  • (00285)  1-Butylpyridiniumbromide  ≥99.0%

  • 874-80-6

  • 00285-50G-F

  • 4,167.54CNY

  • Detail

874-80-6SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-Butylpyridinium bromide

1.2 Other means of identification

Product number -
Other names 1-butylpyridin-1-ium,bromide

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:874-80-6 SDS

874-80-6Relevant articles and documents

Photoswitchable phthalocyanine-assembled nanoparticles for controlled "double-lock" photodynamic therapy

Cheng, Hong-Bo,Li, Xingshu,Kwon, Nahyun,Fang, Yanyan,Baek, Gain,Yoon, Juyoung

, p. 12316 - 12319 (2019)

In the current study, a new nanoparticle platform, NanoAzoPcS, is created by co-assembly of phthalocyanine and azobenzene amphiphiles, which can be used to gain precise control of PDT simply by regulating the stoichiometric ratio of the components and usi

Metal β-diketonate complexes as highly efficient catalysts for chemical fixation of CO2 into cyclic carbonates under mild conditions

Wang, Hongmei,Zhang, Zulei,Wang, Hailong,Guo, Liping,Li, Lei

, p. 15970 - 15976 (2019)

The potential of metal β-diketonate complexes for the catalysis of the chemical fixation of CO2 into cyclic carbonates at 1 atm CO2 and near room temperature was demonstrated. Their potential for the capture and simultaneous conversi

Development of an analytical method based on temperature controlled solid-liquid extraction using an ionic liquid as solid solvent

Pan, Zhongwei,Wang, Zhengquan,Zhu, Linna,Zhu, Zhiming,Cai, Jinying,Shen, Xiaoman,Fan, Tingli,Zhang, Yingnan,Chen, Zhixiu,McPhee, Derek J.

, p. 22137 - 22145 (2015)

At the present paper, an analytical method based on temperature controlled solid-liquid extraction (TC-SLE) utilizing a synthesized ionic liquid, (N-butylpyridinium hexafluorophosphate, [BPy]PF6), as solid solvent and phenanthroline (PT) as an extractant was developed to determine micro levels of Fe2+ in tea by PT spectrophotometry. TC-SLE was carried out in two continuous steps: Fe2+ can be completely extracted by PT-[BPy]PF6 or back-extracted at 80 °C and the two phases were separated automatically by cooling to room temperature. Fe2+ after back-extraction, needs 2 mol/L HNO3 as stripping agent and the whole process was determined by PT spectrophotometry at room temperature. The extracted species was neutral Fe(PT)mCl2 (m = 1) according to slope analysis in the Fe2+-[BPy]PF6-PT TC-SLE system. The calibration curve was Y = 0.20856X - 0.000775 (correlation coefficient = 0.99991). The linear calibration range was 0.10-4.50 μg/mL and the limit of detection for Fe2+ is 7.0 × 10-2 μg/mL. In this method, the contents of Fe2+ in Tieguanyin tea were determined with RSDs (n = 5) 3.05% and recoveries in range of 90.6%-108.6%.

Imidacloprid photo-degradation on Ag/AgBr modified TiO2: critical impacts and quantitative study on mechanism

Sun, Jialin,Dai, Jingtao,Liu, Rui,Yang, Xiaowei,Chen, Jian

, p. 149 - 164 (2020)

To improve the visible-light catalytic performance of TiO2 for practical application, Ag/AgBr?modified TiO2 was fabricated in ionic liquid–water medium via a facile hydrothermal reduction method. Imidacloprid (IMI) was employed as the target pollutant to evaluate the critical impacts on the catalytic activity of as-prepared Ag/AgBr/TiO2, where the factors relating to the catalyst (composition, dosage, recycle and reuse) and solution chemistry (pH and concentration, simulated wastewater samples and floodwater of rice paddy field) were studied. The results suggested that benefitting from visible-light sensitive Ag/AgBr and high specific surface area TiO2, Ag/AgBr/TiO2 exhibits superior visible-light photocatalytic activity and stability to Ag/AgBr and TiO2. The quenching tests with various scavengers indicate that ·O2 ? and h+, and ·O2 ? and ·OH may be the key roles in IMI photo-degradation on Ag/AgBr and on Ag/AgBr/TiO2, respectively. Thus, the photocatalytic performance of Ag/AgBr/TiO2 differs from that of Ag/AgBr. Furthermore, the contribution of such active species is clarified for quantitative mechanisms study. The photo-degradation conducted in the simulated wastewater and the floodwater of rice paddy field proves favorable anti-interference capacity of Ag/AgBr/TiO2. The tests conducted on real wastewater sample verified that Ag/AgBr/TiO2 can mineralize IMI promptly and almost completely.

Effects of ionic liquids for lipase-catalyzed chiral 1,1′-binaphthyl- 2- yl(phenyl)methanone O-acetyl oxime synthesis

Zhou, Yongchang,Takahashia, Motohiro,Aoyagi, Naoto,Li, Chunlei,Kijimaa, Tatsuro,Izumia, Taeko

, p. 297 - 300 (2009)

The resolution of 1,1'-binaphthyl-2-yl(phenyl)methanone O-acetyl oxime catalyzed by lipase in three different ionic liquids, 1-butyl-3- methylimidazolium hexafluoride-phosphate, [bmim][PF6], 1-butyl-3-methylimidazolium tetrafluoroborate, [bmim][BF4] and N-butyl-pyridium hexafluorophosphate, [BuPy][PF6] and organic solvents was studied. The lipase shows low activity in ionic liquids and organic solvent with ionic liquids as the additive, while the lipase coated with ionic liquids gives the best enantioselectivity as high as 95 %.

Oxidative desulfurization of fuel oil by pyridinium-based ionic liquids

Zhao, Dishun,Wang, Yanan,Duan, Erhong

, p. 4351 - 4357 (2009)

In this work, an N-butyl-pyridinium-based ionic liquid [BPy]BF4 was prepared. The effect of extraction desulfurization on model oil with thiophene and dibenzothiophene (DBT) was investigated. Ionic liquids and hydrogen peroxide (30%) were tested in extraction-oxidation desulfurization of model oil. The results show that the ionic liquid [BPy]BF4 has a better desulfurization effect. The best technological conditions are: V(IL)/V(Oil)/V(H2O2) = 1:1:0.4, temperature 55 °C, the time 30 min. The ratio of desulfurization to thiophene and DBT reached 78.5% and 84.3% respectively, which is much higher than extraction desulfurization with simple ionic liquids. Under these conditions, the effect of desulfurization on gasoline was also investigated. The used ionic liquids can be recycled up to four times after regeneration.

Thermodynamic studies of ionic interactions in aqueous solutions of N-butyl-pyridinium bromide at 298.15 K

Shaikh, Vasim R.,Terdale, Santosh S.,Gupta, Gaurav R.,Hundiwale, Dilip G.,Patil, Kesharsingh J.

, p. 14 - 22 (2013)

Density and osmotic coefficient measurements for aqueous solutions of N-butyl-pyridinium bromide [Bpy][Br] in concentration range ~ 0.019 to ~ 0.39 mol·kg- 1 at 298.15 K are reported. The density data are used to obtain apparent molar volume (V), partial molar volume of solute and solvent V?2andV?1 respectively as well the limiting partial molar volume ?V0=V?20 of the solute [Bpy][Br] (by appropriate extrapolation). The experimental osmotic coefficient data are used to determine the activity and mean ionic activity coefficients of solute and solvent respectively. Experimental activity coefficient data are compared with those obtained from Debye-Hu?ckel and Pitzer models. The activity data have been further processed to obtain the Gibbs free energy change due to mixing (ΔGm) and excess Gibbs free energy change (ΔG E). The aggregation number (n) and critical micelle concentration (cmc) are obtained for ionic salt in solution phase by applying pseudo-phase separation model to andV data respectively. Application of McMillan-Mayer theory of solutions to the data is made. The results have been interpreted on the basis of structural characteristic of salt, ion-solvent and ion-ion interactions.

Properties of Bromine Fused Salts Based on Quaternary Ammonium Molecules and Their Relevance for Use in a Hydrogen Bromine Redox Flow Battery

Fischer, Peter,Küttinger, Michael,Loichet Torres, Paulette A.,Meyer, Emeline

supporting information, (2022/02/21)

Bromine complexing agents (BCA) in aqueous electrolytes for hydrogen bromine flow batteries are used to reduce bromine‘s vapour pressure, while an insoluble and liquid fused salt is formed. The properties (concentrations, composition, conductivity and viscosity) of this fused salt are investigated in this study systematically ex situ by using 7 BCAs at different state of charge in HBr/Br2/H2O electrolytes with a theoretical capacity of 179.6 Ah L?1. Bromine is stored in the fused salt at concentrations up to 13.6 M, reaching theoretical volumetrical capacities up to 730 Ah L?1 in fused salts. The fused salt consists of a pure, bromine- and water-free ionic liquid of organic [BCA]+ cations and polybromides, and its conductivity bases on a hopping mechanism among the polybromides. Alkyl side chain length of the BCAs and distribution of polybromides influence strongly the conductivity and viscosity of the fused salts. 1-ethylpyridin-1-iumbromide results to be favoured BCA for application.

Newly designed flow reactor as an original method of synthesis of ionic liquids by ion-exchange reactions

Pawlowska-Zygarowicz, Anna

supporting information, (2021/11/16)

Optimization of chemical reactions is often costly and requires a significant investment in both materials and time. The solution to this type of difficulty may be the use of continuous flow systems. With the use of the newly designed continuous flow system, the method of synthesizing ionic liquids (ILs) by ion exchange was optimized. The flow rate of the substrates and the selection of the packing of the column in which the reactions were carried out (random packing or a chemical compound in the form of a solid, which was the source of the anion exchanged) were also optimized. The purity of the obtained ionic liquids and the progress of the reaction was determined using ion chromatography. Additionally, for the ionic liquids, which were the starting compounds for the ion exchange reaction, the basic physicochemical properties were determined, thus extending the data library available for chemical compounds belonging to the group of ionic liquids.

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

Ketsomboon, Nutthanicha,Saeeng, Rungnapha,Srisook, Klaokwan,Sirion, Uthaiwan

, (2021/08/26)

A convenient method for the one-pot synthesis of long alkyl-chain triazolylglycosides using ionic liquid as dual promoter and solvent is described via a sequential one-pot two-step glycosidation-CuAAc click reaction. The reaction was carried out using commercially available substrates, including glycosyl bromides, sodium azide and various long alkyl-chain alkynes to achieve the corresponding products in moderate to high yields. Furthermore, this approach was successfully applied for the preparation of non-ionic monocatenary triazolylglycoside surfactants in excellent yields through simple deacetylation. Subsequently, these surfactants were further evaluated for their cytotoxic activity.

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