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3,5-Dibromo-4-hydroxybenzaldehyde - 98%, high purity , CAS No.2973-77-5

COA

Grade & Purity:

≥98%

Cas Number: 2973-77-5
Molecular Weight: 279.91
EC Number: 221-017-1
MDL number: MFCD00016980
PubChem CID: 18100
PubChem SID: 488182437

In stock

Item Number

D117854

Grouped product items
SKU	Size	Availability	Price
D117854-5g	5g	10	$39.90
D117854-25g	25g	7	$117.90
D117854-100g	100g	2	$329.90

Basic Description

Synonyms	DTXSID20183889 \| NSC 72944 \| AC-13720 \| AG-205/06024052 \| Z57176718 \| NSC72944 \| NSC-72944 \| BBL023240 \| EINECS 221-017-1 \| W-106975 \| Benzaldehyde, 3,5-dibromo-4-hydroxy- \| InChI=1/C7H4Br2O2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-3,11 \| D0189 \| MFCD00016980 \| s10
Specifications & Purity	≥98%
Storage Temp	Argon charged
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-bromophenols Benzoyl derivatives Bromobenzenes Aryl bromides Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Hydroxybenzaldehyde - Benzoyl - 2-halophenol - 2-bromophenol - Phenol - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Monocyclic benzene moiety - Benzenoid - 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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488182437
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488182437
IUPAC Name	3,5-dibromo-4-hydroxybenzaldehyde
INCHI	InChI=1S/C7H4Br2O2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-3,11H
InChIKey	SXRHGLQCOLNZPT-UHFFFAOYSA-N
Smiles	C1=C(C=C(C(=C1Br)O)Br)C=O
Isomeric SMILES	C1=C(C=C(C(=C1Br)O)Br)C=O
WGK Germany	3
Molecular Weight	279.91
Reaxy-Rn	1948512
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1948512&ln=

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

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7 results found

Lot Number	Certificate Type	Date	Item
D2301855	Certificate of Analysis	Jan 20, 2025	D117854
D2301854	Certificate of Analysis	Jan 13, 2025	D117854
L22071069	Certificate of Analysis	Sep 11, 2024	D117854
L22071061	Certificate of Analysis	Sep 11, 2024	D117854
L22071060	Certificate of Analysis	Sep 11, 2024	D117854
D1606073	Certificate of Analysis	Aug 04, 2023	D117854
L22071049	Certificate of Analysis	Oct 19, 2022	D117854

Chemical and Physical Properties

Sensitivity	air sensitive
Melt Point(°C)	184°C
Molecular Weight	279.910 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	279.856 Da
Monoisotopic Mass	277.858 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	139.000
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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