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

1 Citations

COA

Grade & Purity:

≥95%

Cas Number: 140681-55-6
Molecular Weight: 354.26
Beilstein Registry Number: 5368649
MDL number: MFCD00142607
PubChem CID: 2724933

In stock

Item Number

S101457

Grouped product items
SKU	Size	Availability	Price
S101457-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$14.90
S101457-25g	25g	3	$19.90
S101457-100g	100g	1	$69.90
S101457-500g	500g	1	$279.90

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Electrophilic fluorination reagent (6) Element classified compounds (2014)

Basic Description

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-) \|
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	It is used for greener fluorination of acetoacetamides in PEG-400.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazinanes
    - Subclass Piperazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazinanes
Subclass	Piperazines
Intermediate Tree Nodes	Not available
Direct Parent	N-alkylpiperazines
Alternative Parents	Tetraalkylammonium salts Organic metalloid salts Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives Amines Alkyl chlorides
Molecular Framework	Aliphatic 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
Description	This 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
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

Names and Identifiers

IUPAC Name	1-(chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane;ditetrafluoroborate
INCHI	InChI=1S/C7H14ClFN2.2BF4/c8-7-10-1-4-11(9,5-2-10)6-3-10;22-1(3,4)5/h1-7H2;;/q+2;2-1
InChIKey	TXRPHPUGYLSHCX-UHFFFAOYSA-N
Smiles	[B-](F)(F)(F)F.[B-](F)(F)(F)F.C1C[N+]2(CC[N+]1(CC2)CCl)F
Isomeric SMILES	[B-](F)(F)(F)F.[B-](F)(F)(F)F.C1C[N+]2(CC[N+]1(CC2)CCl)F
WGK Germany	2
PubChem CID	2724933
Molecular Weight	354.26
Beilstein	5368649
Reaxy-Rn	5368649

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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.

18 results found

Lot Number	Certificate Type	Date	Item
D2518419	Certificate of Analysis	Mar 10, 2025	S101457
D2518420	Certificate of Analysis	Mar 10, 2025	S101457
F2405592	Certificate of Analysis	May 13, 2024	S101457
F2405593	Certificate of Analysis	May 13, 2024	S101457
D2418278	Certificate of Analysis	Mar 22, 2024	S101457
E2406168	Certificate of Analysis	Mar 22, 2024	S101457
E2406192	Certificate of Analysis	Mar 22, 2024	S101457
E2406198	Certificate of Analysis	Mar 22, 2024	S101457
E1921134	Certificate of Analysis	Mar 09, 2023	S101457
K1808030	Certificate of Analysis	Sep 13, 2022	S101457
B2320082	Certificate of Analysis	Sep 05, 2022	S101457
D2423006	Certificate of Analysis	Sep 05, 2022	S101457
B2320070	Certificate of Analysis	Sep 05, 2022	S101457
B2320628	Certificate of Analysis	Sep 05, 2022	S101457
B2320083	Certificate of Analysis	Sep 05, 2022	S101457
E2225072	Certificate of Analysis	Dec 29, 2021	S101457
E2225121	Certificate of Analysis	Dec 29, 2021	S101457
B2216486	Certificate of Analysis	Dec 29, 2021	S101457

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Chemical and Physical Properties

Solubility	Soluble in water, acetonitrile, alcohol, acetone, dimethylformamide, pyridine and dimethylsulfoxide.
Sensitivity	Moisture sensitive.
Melt Point(°C)	260°C
Molecular Weight	354.300 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	1
Exact Mass	354.089 Da
Monoisotopic Mass	354.089 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	168.000
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	3

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