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2,6-Dichlorobenzoic Acid - 98%, high purity , CAS No.50-30-6

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2,6-Dichlorobenzoic Acid - 98%, high purity , CAS No.50-30-6

COA

Grade & Purity:

≥98%

Cas Number: 50-30-6
Molecular Weight: 191.01
Beilstein Registry Number: 9343
EC Number: MFCD00002418
MDL number: MFCD00002418
PubChem CID: 5758
PubChem SID: 488179927

In stock

Item Number

D107594

Grouped product items
SKU	Size	Availability	Price
D107594-5g	5g	10	$14.90
D107594-25g	25g	2	$39.90
D107594-100g	100g	10	$143.90
D107594-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$646.90

View related series

carboxylic acid (2098) Non heterocyclic block (8163)

Basic Description

Synonyms	2,6-DICHLOROBENZOIC ACID \| 2,6-dichloro-benzoic acid \| AI3-33337 \| FT-0610597 \| Benzoic acid,6-dichloro- \| CAS-50-30-6 \| InChI=1/C7H4Cl2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11 \| W-105975 \| AM81266 \| Tox21_200320 \| BRN 0973858 \| A7466 \| NSC76599 \| NSC
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Benzoic acids
        Level6 Dichlorobenzoic acids

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Benzoic acids
Direct Parent	Dichlorobenzoic acids
Alternative Parents	Halobenzoic acids 2-halobenzoic acids Dichlorobenzenes Benzoyl derivatives 1-carboxy-2-haloaromatic compounds Aryl chlorides Vinylogous halides Monocarboxylic acids and derivatives Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	2,6-dichlorobenzoic acid - Halobenzoic acid - 2-halobenzoic acid - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoyl - 1-carboxy-2-haloaromatic compound - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous halide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - Organic oxide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as dichlorobenzoic acids. These are benzoic acids having two chlorine atoms attached to the carboxylated benzene ring.
External Descriptors	dichlorobenzene - chlorobenzoic acid
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

Associated Targets(Human)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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	488179927
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488179927
IUPAC Name	2,6-dichlorobenzoic acid
INCHI	InChI=1S/C7H4Cl2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)
InChIKey	MRUDNSFOFOQZDA-UHFFFAOYSA-N
Smiles	C1=CC(=C(C(=C1)Cl)C(=O)O)Cl
Isomeric SMILES	C1=CC(=C(C(=C1)Cl)C(=O)O)Cl
WGK Germany	3
RTECS	DG7000000
Molecular Weight	191.01
Beilstein	9343
Reaxy-Rn	973858
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=973858&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot Number	Certificate Type	Date	Item
E1725096	Certificate of Analysis	Jan 20, 2025	D107594
H2003060	Certificate of Analysis	May 09, 2024	D107594
C23311598	Certificate of Analysis	Apr 08, 2023	D107594
C23311591	Certificate of Analysis	Sep 11, 2021	D107594
G2422480	Certificate of Analysis	Sep 11, 2021	D107594
F2316137	Certificate of Analysis	Sep 11, 2021	D107594

Chemical and Physical Properties

Melt Point(°C)	139-142°C
Molecular Weight	191.010 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	189.959 Da
Monoisotopic Mass	189.959 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	151.000
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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