N-Fluoro-N'-(chloromethyl)triethylenediamine Bis(tetrafluoroborate) - ≥95% , CAS No.140681-55-6

CAS: 140681-55-6 Cat. No.: S101457 Peso molecular: 354.26 Beilstein Registry Number: 5368649 Número EC: 414-380-4 PubChem CID: 2724933
Disponible para pedir
GRADE & PURITY ≥95%
Synonyms
1-(chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2,2,2]octane bis(tetrafluoroborate) | N-Fluoro-N'-(chloromethyl)triethylenediamine Bis(tetrafluoroborate) | SCHEMBL23727 | 1,4-DIAZONIABICYCLO(2.2.2)OCTANE, 1-(CHLOROMETHYL)-4-FLUORO-, TETRAFLUOROBORATE(1-) |
Storage
Store at 2-8°C,Argon charged
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
5g
S101457-5g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
9,90US$
25g
S101457-25g
≥10
13,90US$
100g
S101457-100g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
34,90US$
500g
S101457-500g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
139,90US$
Enter a quantity for the sizes you want to add.
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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at 2-8°C,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

It is used for greener fluorination of acetoacetamides in PEG-400.

Specifications

Sinónimos
1-(chloromethyl)-4-fluoro-1, 4-diazoniabicyclo[2, 2, 2]octane bis(tetrafluoroborate) | N-Fluoro-N'-(chloromethyl)triethylenediamine Bis(tetrafluoroborate) | SCHEMBL23727 | 1, 4-DIAZONIABICYCLO(2.2.2)OCTANE, 1-(CHLOROMETHYL)-4-FLUORO-, TETRAFLUOROBORATE(1-) |
Especificaciones y pureza
≥95%
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C, Argon charged
Enviado en
Wet ice
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Pureza
≥95%
Nombres e identificadores
Sonrisas canónicas[B-](F)(F)(F)F.[B-](F)(F)(F)F.C1C[N+]2(CC[N+]1(CC2)CCl)F
IUPAC Name1-(chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane;ditetrafluoroborate
InChIKeyTXRPHPUGYLSHCX-UHFFFAOYSA-N
INCHI1S/C7H14ClFN2.2BF4/c8-7-10-1-4-11(9,5-2-10)6-3-10;2*2-1(3,4)5/h1-7H2;;/q+2;2*-1
Isómeros SMILES [B-](F)(F)(F)F.[B-](F)(F)(F)F.C1C[N+]2(CC[N+]1(CC2)CCl)F
WGK Alemania 2
PubChem CID 2724933
Peso molecular 354.26
Beilstein 5368649
Reaxy-Rn 5368649

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClaseDiazinanes
SubclassPiperazines
Intermediate Tree Nodes Not available
Direct ParentN-alkylpiperazines
Alternative Parents Tetraalkylammonium salts  Organic metalloid salts  Azacyclic compounds  Organopnictogen compounds  Organochlorides  Hydrocarbon derivatives  Amines  Alkyl chlorides  
Molecular FrameworkAliphatic heteropolycyclic compounds
Substituents N-alkylpiperazine - Quaternary ammonium salt - Tetraalkylammonium salt - Organic metalloid salt - Azacycle - Alkyl chloride - Hydrocarbon derivative - Organic salt - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Alkyl halide - Aliphatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as n-alkylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an alkyl group.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

22 results found

Lot NumberCertificate TypeFechaArticulo
D2621562Certificate of AnalysisMar 26, 2026 S101457
D2621579Certificate of AnalysisMar 26, 2026 S101457
I2511045Certificate of AnalysisMar 10, 2025 S101457
D2518396Certificate of AnalysisMar 10, 2025 S101457
D2518419Certificate of AnalysisMar 10, 2025 S101457
D2518420Certificate of AnalysisMar 10, 2025 S101457
F2405593Certificate of AnalysisMay 13, 2024 S101457
F2405592Certificate of AnalysisMay 13, 2024 S101457
D2418278Certificate of AnalysisMar 22, 2024 S101457
E2406198Certificate of AnalysisMar 22, 2024 S101457
E2406192Certificate of AnalysisMar 22, 2024 S101457
E2406168Certificate of AnalysisMar 22, 2024 S101457
E1921134Certificate of AnalysisMar 09, 2023 S101457
K1808030Certificate of AnalysisSep 13, 2022 S101457
D2423006Certificate of AnalysisSep 05, 2022 S101457
B2320628Certificate of AnalysisSep 05, 2022 S101457
B2320083Certificate of AnalysisSep 05, 2022 S101457
B2320082Certificate of AnalysisSep 05, 2022 S101457
B2320070Certificate of AnalysisSep 05, 2022 S101457
E2225121Certificate of AnalysisDec 29, 2021 S101457
E2225072Certificate of AnalysisDec 29, 2021 S101457
B2216486Certificate of AnalysisDec 29, 2021 S101457

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Propiedades químicas y físicas
SolubilidadSoluble in water, acetonitrile, alcohol, acetone, dimethylformamide, pyridine and dimethylsulfoxide.
SensibilidadMoisture sensitive.
Punto de fusión (°C)260°C
Peso molecular354.300 g/mol
XLogP3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count1
Exact Mass354.089 Da
Monoisotopic Mass354.089 Da
Topological Polar Surface Area0.000 Ų
Heavy Atom Count21
Formal Charge0
Complexity168.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count3
Preguntas frecuentes y artículos
Study on Alkenyl Fluorinated Building Blocks
Aryl fluorination
Minute-Scale Construction of Fluorinated Nitrogen-Bridged Bicycles: Pd(II)/Pd(IV) Cascade Chemistry and a Pd(IV) “Dyotropic (Paired-Migration)” Rearrangement Driving Strain-Release Ring Expansion
One Atom Can Change a Drug’s Fate: Atom-Level Knobs and a Functional-Group Toolbox for Medicinal Chemistry (Methyl / Halogen Bonding / 3D Building Blocks / Late-Stage Fluorination + Product-Selection Tables)
Late-Stage Fluorination Toolbox: “Minimally Invasive Upgrades” for Lead Candidates: Four “Fluorine Knobs” → Two major routes (electrophilic vs nucleophilic) → An ¹⁸F-PET tracer branch → Selection navigation & representative product list
Experimental Judgment and Condition Selection for Visible-Light Catalysis in Organic Synthesis
Reaction Selection in Small-Molecule Synthesis: From Transformation-Type Assessment to Experimental Route Screening
Citations of This Product
Referencias
1. Mingye Zhao, Jie Chen, Heyong Wang, Yuqing Wang, Guixiang Huang, Ning Zhu, Yuguang Li, Zheng Fang, Yujing Hu, Kai Guo.  (2024)  A Photo-Enzymatic Cascade to Access Dihydrocoumarins from Incompatibility to Compatibility.  Molecular Catalysis,      [PMID:] [10.1016/j.mcat.2024.113852]
Calculadoras de soluciones
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