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3-[4-(trifluoromethoxy)phenyl]azetidine;hydrochloride - 97%, high purity , CAS No.1956331-83-1
Basic Description
Synonyms
3-[4-(Trifluoromethoxy)phenyl]azetidine Hydrochloride | 3-[4-(trifluoromethoxy)phenyl]azetidine;hydrochloride | PS-18731 | SB51910 | 3-(4-(Trifluoromethoxy)phenyl)azetidinehydrochloride | GS0582 | MFCD27922377 | 3-(4-(Trifluoromethoxy)phenyl)azetidine hyd
Specifications & Purity
≥97%
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azetidines
Subclass
Phenylazetidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylazetidines
Alternative Parents
Phenoxy compounds Phenol ethers Aralkylamines Trihalomethanes Dialkylamines Azacyclic compounds Organooxygen compounds Organofluorides Hydrochlorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-phenylazetidine - Phenoxy compound - Phenol ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Trihalomethane - Secondary aliphatic amine - Secondary amine - Azacycle - Alkyl halide - Halomethane - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Amine - Hydrochloride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylazetidines. These are polycyclic aromatic compounds containing a phenyl ring substituted with an azetidine ring.
External Descriptors
Not available
Data sources
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.
Names and Identifiers
IUPAC Name
3-[4-(trifluoromethoxy)phenyl]azetidine;hydrochloride
INCHI
InChI=1S/C10H10F3NO.ClH/c11-10(12,13)15-9-3-1-7(2-4-9)8-5-14-6-8;/h1-4,8,14H,5-6H2;1H
InChIKey
MPIIIDIAWDXKSN-UHFFFAOYSA-N
Smiles
C1C(CN1)C2=CC=C(C=C2)OC(F)(F)F.Cl
Isomeric SMILES
C1C(CN1)C2=CC=C(C=C2)OC(F)(F)F.Cl
Alternate CAS
1956331-83-1
PubChem CID
72698851
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
253.650 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
2
Exact Mass
253.048 Da
Monoisotopic Mass
253.048 Da
Topological Polar Surface Area
21.300 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
207.000
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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