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4-(2,6-Dichlorobenzyloxy)benzaldehyde , CAS No.166049-76-9
Discover 4-(2,6-Dichlorobenzyloxy)benzaldehyde by Aladdin Scientific in for only $597.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
4-[(2,6-dichlorobenzyl)oxy]benzaldehyde | 166049-76-9 | 4-[(2,6-dichlorophenyl)methoxy]benzaldehyde | 4-((2,6-Dichlorobenzyl)oxy)benzaldehyde | MFCD03422465 | 4-(2,6-dichlorobenzyloxy)benzaldehyde | SCHEMBL6602394 | DTXSID70352780 | HUSGNWQDBYHKLU-UHFFFAOYSA-N | BBL016397 |
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Halobenzenes
Intermediate Tree Nodes
Chlorobenzenes
Direct Parent
Dichlorobenzenes
Alternative Parents
Phenoxy compounds Phenol ethers Benzoyl derivatives Benzaldehydes Alkyl aryl ethers Aryl chlorides Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenoxy compound - Benzaldehyde - Benzoyl - Phenol ether - 1,3-dichlorobenzene - Alkyl aryl ether - Aryl-aldehyde - Aryl chloride - Aryl halide - Ether - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aldehyde - Organohalogen compound - Organochloride - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
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-[(2,6-dichlorophenyl)methoxy]benzaldehyde
INCHI
InChI=1S/C14H10Cl2O2/c15-13-2-1-3-14(16)12(13)9-18-11-6-4-10(8-17)5-7-11/h1-8H,9H2
InChIKey
HUSGNWQDBYHKLU-UHFFFAOYSA-N
Smiles
C1=CC(=C(C(=C1)Cl)COC2=CC=C(C=C2)C=O)Cl
Isomeric SMILES
C1=CC(=C(C(=C1)Cl)COC2=CC=C(C=C2)C=O)Cl
Molecular Weight
281.13
Reaxy-Rn
7296300
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7296300&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
281.100 g/mol
XLogP3
4.100
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
4
Exact Mass
280.006 Da
Monoisotopic Mass
280.006 Da
Topological Polar Surface Area
26.300 Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
255.000
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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