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3-(1,1,2,2-Tetrafluoroethoxy)benzaldehyde - 95%, high purity , CAS No.35295-35-3
Basic Description
Synonyms
AMY37074 | 3-(1,1,2,2-Tetrafluoroethoxy)benzaldehyde, 95% | 3-Tetrafluoroethoxybenzaldehyde | EINECS 252-496-5 | m-(1,1,2,2-Tetrafluoroethoxy)benzaldehyde | STK312262 | VJ2NZ9XZY5 | 3-(1,l,2,2-tetrafluoroethoxy)benzaldehyde | DTXSID2067907 | 3-(1,1,2,2-te
Specifications & Purity
≥95%
Product Description
Description
3-(1,1,2,2-Tetrafluoroethoxy)benzaldehyde may be used in the preparation of novel series of substitutedN-[3-(1,1,2,2-tetrafluoroethoxy)benzyl]-N-(3-phenoxyphenyl)-trifluoro-3-amino-2-propanols.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenol ethers
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenol ethers
Alternative Parents
Phenoxy compounds Benzoyl derivatives Benzaldehydes Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenoxy compound - Benzaldehyde - Benzoyl - Phenol ether - Aryl-aldehyde - Monocyclic benzene moiety - Aldehyde - Organooxygen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene 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-(1,1,2,2-tetrafluoroethoxy)benzaldehyde
INCHI
InChI=1S/C9H6F4O2/c10-8(11)9(12,13)15-7-3-1-2-6(4-7)5-14/h1-5,8H
InChIKey
LAFOZKQZOGJYKC-UHFFFAOYSA-N
Smiles
C1=CC(=CC(=C1)OC(C(F)F)(F)F)C=O
Isomeric SMILES
C1=CC(=CC(=C1)OC(C(F)F)(F)F)C=O
PubChem CID
118803
Molecular Weight
222.14
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Boil Point(°C)
95-97°/9mm
Molecular Weight
222.140 g/mol
XLogP3
3.000
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
4
Exact Mass
222.03 Da
Monoisotopic Mass
222.03 Da
Topological Polar Surface Area
26.300 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
220.000
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
1
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