1-Chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate) - CAS 140681-55-6

Name: 1-Chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate)
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB009100
Product Name:	1-Chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate)
CAS:	140681-55-6
Synonyms:	1-(chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane;ditetrafluoroborate

Technical Data

IUPAC Name:	1-(chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane;ditetrafluoroborate
Description:	1-Chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate) (CAS# 140681-55-6) is a reagent in chemistry that is used as a fluorine donor.
Molecular Weight:	354.26
Molecular Formula:	C7H14B2ClF9N2
Canonical SMILES:	[B-](F)(F)(F)F.[B-](F)(F)(F)F.C1C[N+]2(CC[N+]1(CC2)CCl)F
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
InChI Key:	TXRPHPUGYLSHCX-UHFFFAOYSA-N
Melting Point:	260 °C
Purity:	95 %
Appearance:	White powder.
Storage:	2-8 °C
MDL:	MFCD00142607
LogP:	3.24560

GHS Hazard Statement:	H302: Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P305+P351+P338, P310, P321, P330, P333+P313, P363, and P501
Signal Word:	Danger

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PMID	Publication Date	Title	Journal
22976771	20121015	A polycomponent metal-catalyzed aliphatic, allylic, and benzylic fluorination	Angewandte Chemie (International ed. in English)
22807348	20120901	Semisynthetic ursolic acid fluorolactone derivatives inhibit growth with induction of p21(waf1) and induce apoptosis with upregulation of NOXA and downregulation of c-FLIP in cancer cells	ChemMedChem
22724550	20120706	Copper-catalyzed selective benzylic C-O cyclization of N-o-tolylbenzamides: synthesis of 4H-3,1-benzoxazines	Organic letters
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Complexity:	168
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	354.0887899
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	11
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	354.0887899
Rotatable Bond Count:	1
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0