3-Bromopyrrolidine hydrobromide - ≥95% , CAS No.1262769-75-4

CAS: 1262769-75-4 Cat. No.: B166798 Formula: C₄H₉Br₂N Peso molecolare: 230.93 Numero EC: 689-515-5

GRADE & PURITY ≥95%

Synonyms

3-BROMOPYRROLIDINE HBR | AKOS015998808 | A889475 | DTXSID70735291 | 3-Bromopyrrolidinehydrobromide | 3-Bromopyrrolidine hydrobromide | DS-18501 | MFCD13181592 | 3-bromopyrrolidine;hydrobromide | 1262769-75-4 | 3-Bromopyrrolidine--hydrogen bromide (1/1) |

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinonimi

3-BROMOPYRROLIDINE HBR | AKOS015998808 | A889475 | DTXSID70735291 | 3-Bromopyrrolidinehydrobromide | 3-Bromopyrrolidine hydrobromide | DS-18501 | MFCD13181592 | 3-bromopyrrolidine;hydrobromide | 1262769-75-4 | 3-Bromopyrrolidine--hydrogen bromide (1/1) |

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Protected from light,Room temperature,Argon charged

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

• Pubchem Sid: 504771836
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771836
• Sorrisi canonici: C1CNCC1Br.Br
• IUPAC Name: 3-bromopyrrolidine;hydrobromide
• InChIKey: ZSDJSWROXIUGAE-UHFFFAOYSA-N
• INCHI: 1S/C4H8BrN.BrH/c5-4-1-2-6-3-4;/h4,6H,1-3H2;1H
• Isomeri SMILES: C1CNCC1Br.Br
• WGK Germania: 1
• CAS alternativo: 952797-35-2
• Peso molecolare: 230.93

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyrrolidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidines
• Alternative Parents: Dialkylamines Azacyclic compounds Organobromides Hydrocarbon derivatives Hydrobromides Alkyl bromides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pyrrolidine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Hydrobromide - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Alkyl halide - Alkyl bromide - Aliphatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as pyrrolidines. These are compounds containing a pyrrolidine ring, which 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

Proprietà chimiche e fisiche

• Sensibilità: Light sensitive;Heat sensitive;Moisture sensitive
• Punto di fusione (°C): 135-141 °C
• Peso molecolare: 230.930 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 230.908 Da
• Monoisotopic Mass: 228.91 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 46.800
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

Riferimenti

1. Ma Qingkun, Zhang Mei, Fan Yongshuai, Zhao Han, Wang Kun, Wang Xiaojing, Mu Yanling.  (2025)  Simultaneous determination of 7 thiols associated proteins in lymphoma patients’serum and cerebrospinal fluid by UHPLC-HRMS technique.  Scientific Reports,  15  (1): (1-18).  [PMID:40610540] [10.1038/s41598-025-03023-6]