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3,4-Bis(difluoromethoxy)benzaldehyde - 98%, high purity , CAS No.127842-54-0

COA

Grade & Purity:

≥98%

Cas Number: 127842-54-0
Molecular Weight: 238.14
PubChem CID: 14509269
PubChem SID: 504767658

In stock

Item Number

B190442

Grouped product items
SKU	Size	Availability	Price
B190442-250mg	250mg	1	$9.90
B190442-1g	1g	2	$16.90
B190442-5g	5g	2	$39.90
B190442-25g	25g	1	$162.90

Basic Description

Synonyms	3,4-BIS(DIFLUOROMETHOXY)BENZALDEHYDE \| 127842-54-0 \| 3,4-Bis-difluoromethoxy-benzaldehyde \| Benzaldehyde, 3,4-bis(difluoromethoxy)- \| MFCD08706075 \| 3,4-Bis-difluoromethoxybenzaldehyde \| SCHEMBL140841 \| AMY2986 \| DTXSID40561105 \| 3,4-Bisdifluoromethoxybenzaldehyde \| CL8294 \| A
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenol ethers

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenol ethers
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Phenol ethers
Alternative Parents	Phenoxy compounds Benzoyl derivatives Benzaldehydes Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Benzaldehyde - Benzoyl - Phenol ether - Aryl-aldehyde - Monocyclic benzene moiety - Aldehyde - Organooxygen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
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	504767658
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504767658
IUPAC Name	3,4-bis(difluoromethoxy)benzaldehyde
INCHI	InChI=1S/C9H6F4O3/c10-8(11)15-6-2-1-5(4-14)3-7(6)16-9(12)13/h1-4,8-9H
InChIKey	IPHURZAZBKLMQJ-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1C=O)OC(F)F)OC(F)F
Isomeric SMILES	C1=CC(=C(C=C1C=O)OC(F)F)OC(F)F
Molecular Weight	238.14
Reaxy-Rn	4189131
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4189131&ln=

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

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Analytical Chart:

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Lot Number	Certificate Type	Date	Item
I1902037	Certificate of Analysis	Jan 17, 2025	B190442

Chemical and Physical Properties

Molecular Weight	238.140 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	238.025 Da
Monoisotopic Mass	238.025 Da
Topological Polar Surface Area	35.500 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	225.000
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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