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2-(3-chlorophenoxy)benzaldehyde - ≥95%, high purity , CAS No.181297-72-3
Discover 2-(3-chlorophenoxy)benzaldehyde by Aladdin Scientific in ≥95% for only $223.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
2-(3-chlorophenoxy)benzaldehyde | 2-(3-chlorophenoxy)benzenecarbaldehyde | 181297-72-3 | SCHEMBL5319954 | DTXSID80376952 | JEPWDAWNQGZIFB-UHFFFAOYSA-N | 2-(3-chloro-phenoxy)-benzaldehyde | MFCD01568769 | AKOS000260505 | CS-0324126 | E76300 | 12N-067 | A1-32724
Specifications & Purity
≥95%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Diphenylethers
Intermediate Tree Nodes
Not available
Direct Parent
Diphenylethers
Alternative Parents
Diarylethers Phenoxy compounds Phenol ethers Benzoyl derivatives Benzaldehydes Chlorobenzenes Aryl chlorides Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Diphenylether - Diaryl ether - Phenoxy compound - Benzaldehyde - Phenol ether - Benzoyl - Aryl-aldehyde - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Ether - Aldehyde - Organohalogen compound - Organochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
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
2-(3-chlorophenoxy)benzaldehyde
INCHI
InChI=1S/C13H9ClO2/c14-11-5-3-6-12(8-11)16-13-7-2-1-4-10(13)9-15/h1-9H
InChIKey
JEPWDAWNQGZIFB-UHFFFAOYSA-N
Smiles
C1=CC=C(C(=C1)C=O)OC2=CC(=CC=C2)Cl
Isomeric SMILES
C1=CC=C(C(=C1)C=O)OC2=CC(=CC=C2)Cl
Molecular Weight
232.67
Reaxy-Rn
10065525
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10065525&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Boil Point(°C)
130-132°/0.05mm
Melt Point(°C)
35-37°
Molecular Weight
232.660 g/mol
XLogP3
3.500
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Exact Mass
232.029 Da
Monoisotopic Mass
232.029 Da
Topological Polar Surface Area
26.300 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
232.000
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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