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4-hydroxy-3-(trifluoromethoxy)benzaldehyde - 97%, high purity , CAS No.53104-95-3

COA

Grade & Purity:

≥97%

Cas Number: 53104-95-3
Molecular Weight: 206.12
EC Number: 642-552-0
PubChem CID: 7018050

In stock

Item Number

H635959

Grouped product items
SKU	Size	Availability	Price	Qty
H635959-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$129.90
H635959-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$642.90

Basic Description

Synonyms	SCHEMBL856737 \| BBL103771 \| DTXSID60426949 \| CL9012 \| SY023030 \| A829402 \| STL557581 \| AKOS005257919 \| 4-Hydroxy-3-(trifluoromethoxy)benzaldehyde \| AC-30069 \| AM84216 \| FT-0647519 \| 4-Hydroxy-3-trifluoromethoxybenzaldehyde \| 4-hydroxy-3-(trifluoromethoxy)
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Aldehydes
        Level6 Aryl-aldehydes
        Level7 Benzaldehydes
        Level8 Hydroxybenzaldehydes

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Aldehydes - Aryl-aldehydes - Benzaldehydes
Direct Parent	Hydroxybenzaldehydes
Alternative Parents	Phenoxy compounds Phenol ethers Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Trihalomethanes Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Hydroxybenzaldehyde - Phenoxy compound - Benzoyl - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Trihalomethane - Alkyl halide - Organic oxide - Organofluoride - Organohalogen compound - Alkyl fluoride - Hydrocarbon derivative - Halomethane - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as hydroxybenzaldehydes. These are organic aromatic compounds containing a benzene ring carrying an aldehyde group and a hydroxyl group.
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

IUPAC Name	4-hydroxy-3-(trifluoromethoxy)benzaldehyde
INCHI	InChI=1S/C8H5F3O3/c9-8(10,11)14-7-3-5(4-12)1-2-6(7)13/h1-4,13H
InChIKey	GPJSLRQIOKFRFL-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1C=O)OC(F)(F)F)O
Isomeric SMILES	C1=CC(=C(C=C1C=O)OC(F)(F)F)O
Alternate CAS	53104-95-3
PubChem CID	7018050
Molecular Weight	206.12

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	206.120 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	206.019 Da
Monoisotopic Mass	206.019 Da
Topological Polar Surface Area	46.500 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	204.000
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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