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3-(trifluoromethyl)azetidine hydrochloride - 97%, high purity , CAS No.1221272-90-7

COA

Grade & Purity:

≥97%

Cas Number: 1221272-90-7
Molecular Weight: 161.55
PubChem CID: 54596080

In stock

Item Number

T172686

Grouped product items
SKU	Size	Availability	Price	Qty
T172686-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$4,588.90

Basic Description

Synonyms	3-(Trifluoromethyl)Azetidine hydrochloride \| 1221272-90-7 \| 3-Trifluoromethyl-azetidine hydrochloride \| 3-(trifluoromethyl)azetidine;hydrochloride \| 3-(Trifluoromethyl)azetidine HCl \| MFCD16140206 \| Azetidine, 3-(trifluoromethyl)-, hydrochloride (1:1) \| SCHEMBL16290419
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 Organopnictogen compounds Organofluorides Hydrochlorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Azetidine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen 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-(trifluoromethyl)azetidine;hydrochloride
INCHI	InChI=1S/C4H6F3N.ClH/c5-4(6,7)3-1-8-2-3;/h3,8H,1-2H2;1H
InChIKey	BKIWJBSPWANURM-UHFFFAOYSA-N
Smiles	C1C(CN1)C(F)(F)F.Cl
Isomeric SMILES	C1C(CN1)C(F)(F)F.Cl
PubChem CID	54596080
Molecular Weight	161.55

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	161.550 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	161.022 Da
Monoisotopic Mass	161.022 Da
Topological Polar Surface Area	12.000 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	83.800
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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