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4-(3,5-Dichlorophenyl)-2-fluorobenzaldehyde - 96%, high purity , CAS No.1361871-90-0
Basic Description
Synonyms
1361871-90-0 | 4-(3,5-Dichlorophenyl)-2-fluorobenzaldehyde | 3',5'-Dichloro-3-fluoro-[1,1'-biphenyl]-4-carbaldehyde | DTXSID10742828 | MFCD22192557 | BS-25643 | 3',5'-Dichloro-3-fluoro-biphenyl-4-carboxaldehyde | 3',5'-Dichloro-3-fluoro[1,1'-biphenyl]-4-carbaldehyde
Specifications & Purity
≥96%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Biphenyls and derivatives
Intermediate Tree Nodes
Chlorinated biphenyls
Direct Parent
Polychlorinated biphenyls
Alternative Parents
Dichlorobenzenes Benzoyl derivatives Benzaldehydes Fluorobenzenes Aryl fluorides Aryl chlorides Vinylogous halides Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Polychlorinated biphenyl - Benzaldehyde - Benzoyl - 1,3-dichlorobenzene - Aryl-aldehyde - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Aryl chloride - Vinylogous halide - Organooxygen compound - Organic oxygen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organofluoride - Organohalogen compound - Organochloride - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as polychlorinated biphenyls. These are organic compounds containing at least two chlorine atoms attached to either benzene ring of the biphenyl moiety.
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
4-(3,5-dichlorophenyl)-2-fluorobenzaldehyde
INCHI
InChI=1S/C13H7Cl2FO/c14-11-3-10(4-12(15)6-11)8-1-2-9(7-17)13(16)5-8/h1-7H
InChIKey
MIZDCJVWRWQQIU-UHFFFAOYSA-N
Smiles
C1=CC(=C(C=C1C2=CC(=CC(=C2)Cl)Cl)F)C=O
Isomeric SMILES
C1=CC(=C(C=C1C2=CC(=CC(=C2)Cl)Cl)F)C=O
PubChem CID
70699714
Molecular Weight
269.1
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
269.090 g/mol
XLogP3
4.400
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
267.986 Da
Monoisotopic Mass
267.986 Da
Topological Polar Surface Area
17.100 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
264.000
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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