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2,5-Difluoro-4-methoxybenzaldehyde - 98%, high purity , CAS No.879093-08-0
Basic Description
Synonyms
2,5-difluoro-4-methoxybenzaldehyde | 879093-08-0 | MFCD06246882 | 2,5-difluoro-4-methoxy-benzaldehyde | Benzaldehyde, 2,5-difluoro-4-methoxy- | SCHEMBL436131 | DTXSID90397416 | DCGKDDVUUMOTDH-UHFFFAOYSA-N | 2,5-difluoro-4-methyoxybenzaldehyde | BBL100711 | CL8249 | STL554505 | A
Specifications & Purity
≥98%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoyl derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoyl derivatives
Alternative Parents
Phenoxy compounds Methoxybenzenes Benzaldehydes Anisoles Fluorobenzenes Alkyl aryl ethers Aryl fluorides Vinylogous halides Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Benzaldehyde - Benzoyl - Alkyl aryl ether - Aryl-aldehyde - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Vinylogous halide - Ether - Organofluoride - Organooxygen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
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
Pubchem Sid
488194613
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488194613
IUPAC Name
2,5-difluoro-4-methoxybenzaldehyde
INCHI
InChI=1S/C8H6F2O2/c1-12-8-3-6(9)5(4-11)2-7(8)10/h2-4H,1H3
InChIKey
DCGKDDVUUMOTDH-UHFFFAOYSA-N
Smiles
COC1=C(C=C(C(=C1)F)C=O)F
Isomeric SMILES
COC1=C(C=C(C(=C1)F)C=O)F
Molecular Weight
172.13
Reaxy-Rn
7127256
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7127256&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
97-100°C
Molecular Weight
172.130 g/mol
XLogP3
1.600
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
172.034 Da
Monoisotopic Mass
172.034 Da
Topological Polar Surface Area
26.300 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
163.000
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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I1805085