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3-Bromo-5-fluoro-4-hydroxybenzaldehyde - 95%, high purity , CAS No.185345-46-4

COA

Grade & Purity:

≥95%

Cas Number: 185345-46-4
Molecular Weight: 219.01
PubChem CID: 18701750

In stock

Item Number

B191737

Grouped product items
SKU	Size	Availability	Price	Qty
B191737-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$33.90
B191737-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$41.90

Basic Description

Synonyms	3-Bromo-5-fluoro-4-hydroxybenzaldehyde \| 185345-46-4 \| SCHEMBL987816 \| DTXSID10595694 \| FSLFKQZWBRMALB-UHFFFAOYSA-N \| AMY28606 \| CL8306 \| MFCD21606586 \| AKOS015999917 \| 5-Bromo-3-Fluoro-4-Hydroxybenzaldehyde \| DS-17967 \| CS-0157742 \| A880718
Specifications & Purity	≥95%
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	O-fluorophenols O-bromophenols Benzoyl derivatives Fluorobenzenes Bromobenzenes Aryl fluorides Aryl bromides Organofluorides Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Hydroxybenzaldehyde - Benzoyl - 2-halophenol - 2-bromophenol - 2-fluorophenol - Halobenzene - Fluorobenzene - Bromobenzene - Phenol - Aryl halide - Aryl fluoride - Aryl bromide - Monocyclic benzene moiety - Benzenoid - Organofluoride - Organobromide - Organohalogen compound - Organic oxide - Hydrocarbon derivative - 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	3-bromo-5-fluoro-4-hydroxybenzaldehyde
INCHI	InChI=1S/C7H4BrFO2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-3,11H
InChIKey	FSLFKQZWBRMALB-UHFFFAOYSA-N
Smiles	C1=C(C=C(C(=C1F)O)Br)C=O
Isomeric SMILES	C1=C(C=C(C(=C1F)O)Br)C=O
Molecular Weight	219.01
Reaxy-Rn	20623827
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20623827&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	219.010 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	217.938 Da
Monoisotopic Mass	217.938 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	153.000
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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