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3-fluoro-3-(trifluoromethyl)azetidine hydrochloride - 97%, high purity , CAS No.1803588-53-5

COA

Grade & Purity:

≥97%

Cas Number: 1803588-53-5
EC Number: 850-321-2
PubChem CID: 86812287

In stock

Item Number

F630561

Grouped product items
SKU	Size	Availability	Price
F630561-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$131.90
F630561-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$210.90
F630561-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$350.90
F630561-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$525.90
F630561-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,631.90

Basic Description

Synonyms	E72852 \| PS-16327 \| 1803588-53-5 \| VQHWBOJSPNJTFT-UHFFFAOYSA-N \| 3-fluoro-3-(trifluoromethyl)azetidinehydrochloride \| 3-fluoro-3-(trifluoromethyl)azetidine;hydrochloride \| SY165329 \| 3-fluoro-3-(trifluoromethyl)azetidine hydrochloride \| MFCD28118672 \| AKO
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azetidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azetidines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Azetidines
Alternative Parents	Dialkylamines Azacyclic compounds Organofluorides Hydrochlorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Azetidine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as azetidines. These are organic compounds containing a saturated four-member heterocycle where one nitrogen atom replaces a carbon atom.
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	3-fluoro-3-(trifluoromethyl)azetidine;hydrochloride
INCHI	InChI=1S/C4H5F4N.ClH/c5-3(1-9-2-3)4(6,7)8;/h9H,1-2H2;1H
InChIKey	VQHWBOJSPNJTFT-UHFFFAOYSA-N
Smiles	C1C(CN1)(C(F)(F)F)F.Cl
Isomeric SMILES	C1C(CN1)(C(F)(F)F)F.Cl
Alternate CAS	1803588-53-5
PubChem CID	86812287

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

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	179.540 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	179.012 Da
Monoisotopic Mass	179.012 Da
Topological Polar Surface Area	12.000 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	114.000
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	2

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