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5,6-Difluoro-o-anisaldehyde - ≥97.0%(GC), high purity , CAS No.187543-87-9

COA

Grade & Purity:

≥97%(GC)

Cas Number: 187543-87-9
Molecular Weight: 172.13
MDL number: MFCD02093968
PubChem CID: 2774112
PubChem SID: 488193572

In stock

Item Number

D138410

Grouped product items
SKU	Size	Availability	Price
D138410-250mg	250mg	5	$36.90
D138410-1g	1g	5	$113.90
D138410-5g	5g	3	$421.90
D138410-25g	25g	5	$1,898.90

View related series

Carbonyl compound (2335) Non heterocyclic fluorine-containing block (1408)

Basic Description

Synonyms	5,6-Difluoro-o-anisaldehyde \| 2-methoxy-5,6-difluorobenzaldehyde \| 2-methoxy-5,6-difluoro-benzaldehyde \| AKOJAYHBKACKNJ-UHFFFAOYSA-N \| AM20080595 \| BP-11140 \| 2,3-Difluoro-6-methoxybenzaldehyde \| 2,3-difluoro-6-methoxy-benzaldehyde \| AKOS005063514 \| AC-23
Specifications & Purity	≥97%(GC)
Storage Temp	Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoyl derivatives

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
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	488193572
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488193572
IUPAC Name	2,3-difluoro-6-methoxybenzaldehyde
INCHI	InChI=1S/C8H6F2O2/c1-12-7-3-2-6(9)8(10)5(7)4-11/h2-4H,1H3
InChIKey	AKOJAYHBKACKNJ-UHFFFAOYSA-N
Smiles	COC1=C(C(=C(C=C1)F)F)C=O
Isomeric SMILES	COC1=C(C(=C(C=C1)F)F)C=O
Molecular Weight	172.13
Reaxy-Rn	7580806
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7580806&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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7 results found

Lot Number	Certificate Type	Date	Item
A2331525	Certificate of Analysis	Feb 06, 2023	D138410
A2331537	Certificate of Analysis	Feb 06, 2023	D138410
A2331519	Certificate of Analysis	Feb 06, 2023	D138410
A2331591	Certificate of Analysis	Feb 06, 2023	D138410
A2331567	Certificate of Analysis	Feb 06, 2023	D138410
A2331565	Certificate of Analysis	Feb 06, 2023	D138410
A2331530	Certificate of Analysis	Feb 06, 2023	D138410

Chemical and Physical Properties

Sensitivity	air sensitive
Melt Point(°C)	58 °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 Å²
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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