1-Butyl-1-methylpyrrolidinium Chloride (BMIMCl) - ≥99% , CAS No.479500-35-1

CAS: 479500-35-1 Cat. No.: B121231 Molecular Weight: 177.72 EC Number: 610-394-1

GRADE & PURITY ≥99%

Synonyms

B3358 | BOOXKGZZTBKJFE-UHFFFAOYSA-M | 1-Butyl-1-methylpyrrolidinium Chloride | NCGC00259368-01 | XHV1ZJL59R | MFCD08458922 | AKOS015833150 | DTXSID1031460 | UNII-XHV1ZJL59R | Tox21_201819 | butylmethylpyrrolidinium chloride | Pyrrolidinium, 1-butyl-1-meth

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

1-Butyl-1-methylpyrrolidinium chloride (BMIMCl), is an ionic liquid composed of a pyrrolidinium cation and a chloride anion. It is used as a solvent in various chemical reactions, catalysis, and separations due to its ability to dissolve a wide range of organic and inorganic compounds. It is also used as an effective corrosion inhibitor.

Application

1-Butyl-1-methylpyrrolidinium chloride can be used as a solvent in the synthesis of oxychloridoselenites. It can also used as a phase-transfer catalyst in reactions such as oxidation and alkylation reactions.

Specifications

Synonyms

B3358 | BOOXKGZZTBKJFE-UHFFFAOYSA-M | 1-Butyl-1-methylpyrrolidinium Chloride | NCGC00259368-01 | XHV1ZJL59R | MFCD08458922 | AKOS015833150 | DTXSID1031460 | UNII-XHV1ZJL59R | Tox21_201819 | butylmethylpyrrolidinium chloride | Pyrrolidinium, 1-butyl-1-meth

Specifications & Purity

≥99%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488197716
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197716
• Canonical Smiles: CCCC[N+]1(CCCC1)C.[Cl-]
• IUPAC Name: 1-butyl-1-methylpyrrolidin-1-ium;chloride
• InChIKey: BOOXKGZZTBKJFE-UHFFFAOYSA-M
• INCHI: 1S/C9H20N.ClH/c1-3-4-7-10(2)8-5-6-9-10;/h3-9H2,1-2H3;1H/q+1;/p-1
• Isomeric SMILES: CCCC[N+]1(CCCC1)C.[Cl-]
• WGK Germany: 3
• Molecular Weight: 177.72
• Reaxy-Rn: 9294460
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9294460&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolidines
      • Subclass N-alkylpyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolidines
• Subclass: N-alkylpyrrolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-alkylpyrrolidines
• Alternative Parents: Tetraalkylammonium salts Azacyclic compounds Organopnictogen compounds Organic chloride salts Hydrocarbon derivatives Amines
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: N-alkylpyrrolidine - Tetraalkylammonium salt - Quaternary ammonium salt - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-alkylpyrrolidines. These are compounds containing a pyrrolidine moiety that is substituted at the N1-position with an alkyl group. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Soluble in water
• Sensitivity: Moisture sensitive
• Molecular Weight: 177.710 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 177.128 Da
• Monoisotopic Mass: 177.128 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 92.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. J. Zhou, X.Y. Yun, C. Fang, D.H. Xu, X. Li, Y.Y. Cui, Z.C. Zhang.  (2022)  Ternary zero-dimensional hybrid metal halides with dual emission.  Materials Today Chemistry,      [PMID:] [10.1016/j.mtchem.2021.100757]

2. Liubing Fan, Ke Liu, Shihui He, Fangyi Zhao, Jing Zhao, Yonggang Wang, Quanlin Liu.  (2021)  Reversible Mechanically Induced On–Off Photoluminescence in Hybrid Metal Halides.  ADVANCED FUNCTIONAL MATERIALS,  32  (13): (2110771).  [PMID:] [10.1002/adfm.202110771]

3. Jun Zhou, Mingze Li, Maxim S. Molokeev, Jiayue Sun, Denghui Xu, Zhiguo Xia.  (2020)  Tunable photoluminescence in Sb3+-doped zero-dimensional hybrid metal halides with intrinsic and extrinsic self-trapped excitons.  Journal of Materials Chemistry C,  8  (15): (5058-5063).  [PMID:] [10.1039/D0TC00391C]

4. Mingze Li, Maxim S. Molokeev, Jing Zhao, Zhiguo Xia.  (2020)  Optical Functional Units in Zero-Dimensional Metal Halides as a Paradigm of Tunable Photoluminescence and Multicomponent Chromophores.  Advanced Optical Materials,  8  (8): (1902114).  [PMID:] [10.1002/adom.201902114]

5. Zhuang Wang, Fan Zhang, Se Wang, Willie J.G.M. Peijnenburg.  (2017)  Assessment and prediction of joint algal toxicity of binary mixtures of graphene and ionic liquids.  CHEMOSPHERE,      [PMID:28728125] [10.1016/j.chemosphere.2017.07.035]

6. Pengcheng Jing, Atsushi Inoishi, Chengcheng Zhao, Eiichi Kobayashi, Yisong Han, Duncan H. Gregory.  (2026)  Electrochemical Interlayer Expansion and Dual Redox Activation for Fast Mg-Ion Transport and High Capacity in Quasi-1D TiS3.  ACS Sustainable Chemistry & Engineering,      [PMID:41614003] [10.1021/acssuschemeng.5c09578]

7. Yunjie Xiong, Kang Du, Zongmin Hu, Yimin Xuan.  (2026)  High-Performance Magnesium-Ion Thermal Charging Cell Enabled by Organic Cation Pre-Intercalation.  Journal of Materials Chemistry A,      [PMID:] [10.1039/D5TA08783J]

8. Pengcheng Jing, Atsushi Inoishi, Chengcheng Zhao, Eiichi Kobayashi, Peng Ren, Isaac Abrahams, Duncan H. Gregory.  (2026)  In Situ Electrochemical Activation of Pseudo-Layered NbS3 via Interlayer Expansion and Dual Redox for High Mg-Ion Storage.  Advanced Science,      [PMID:] [10.1002/advs.74690]