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2,6-Dichlorobenzaldehyde - 98%, high purity , CAS No.83-38-5

2 Citations

COA

Grade & Purity:

≥98%

Cas Number: 83-38-5
Molecular Weight: 175.01
Beilstein Registry Number: 386477
EC Number: 201-472-2
MDL number: MFCD00003307
PubChem CID: 6737
PubChem SID: 504751161

In stock

Item Number

D129145

Grouped product items
SKU	Size	Availability	Price
D129145-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$10.90
D129145-100g	100g	3	$80.90
D129145-500g	500g	2	$359.90

View related series

aldehyde (388) Non heterocyclic block (8163)

Basic Description

Synonyms	InChI=1/C7H4Cl2O/c8-6-2-1-3-7(9)5(6)4-10/h1-4 \| 2,6-dichloro benzaldehyde \| 2,6-dichloro -benzaldehyde \| EN300-18410 \| (2,6-dichlorophenyl)methanone \| 781ADM5611 \| Q27266626 \| DTXCID304970 \| Z57773430 \| D70634 \| Tox21_200742 \| 2,6-Dichlorobenzaldehyde, pu
Specifications & Purity	≥98%
Storage Temp	Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Halobenzenes
      - Level5 Chlorobenzenes
        Level6 Dichlorobenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Halobenzenes
Intermediate Tree Nodes	Chlorobenzenes
Direct Parent	Dichlorobenzenes
Alternative Parents	Benzoyl derivatives Benzaldehydes Aryl chlorides Vinylogous halides Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	1,3-dichlorobenzene - Benzoyl - Benzaldehyde - Aryl-aldehyde - Aryl halide - Aryl chloride - Vinylogous halide - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Aldehyde - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
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

Associated Targets(Human)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

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SLC6A1 Tclin GABA transporter 1 (308 Activities)

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MPO Tchem Myeloperoxidase (1002 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

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Lymphoblastoid cell (5959 Activities)

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POLK Tbio DNA polymerase kappa (8653 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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GMNN Tbio Geminin (128009 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)

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Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

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B16-F10 (4610 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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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	504751161
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504751161
IUPAC Name	2,6-dichlorobenzaldehyde
INCHI	InChI=1S/C7H4Cl2O/c8-6-2-1-3-7(9)5(6)4-10/h1-4H
InChIKey	DMIYKWPEFRFTPY-UHFFFAOYSA-N
Smiles	C1=CC(=C(C(=C1)Cl)C=O)Cl
Isomeric SMILES	C1=CC(=C(C(=C1)Cl)C=O)Cl
WGK Germany	2
UN Number	1759
Packing Group	I
Molecular Weight	175.01
Beilstein	386477
Reaxy-Rn	386477
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=386477&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.

4 results found

Lot Number	Certificate Type	Date	Item
C1404098	Certificate of Analysis	Feb 17, 2022	D129145
E2203202	Certificate of Analysis	Feb 17, 2022	D129145
G2410065	Certificate of Analysis	Feb 17, 2022	D129145
E2203236	Certificate of Analysis	Feb 17, 2022	D129145

Chemical and Physical Properties

Sensitivity	Air Sensitive
Flash Point(°F)	212 °F
Flash Point(°C)	>100℃
Boil Point(°C)	165°C
Melt Point(°C)	71°C
Molecular Weight	175.010 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	173.964 Da
Monoisotopic Mass	173.964 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	117.000
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

Citations of This Product

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2,6-Dichlorobenzaldehyde - 98%, high purity , CAS No.83-38-5

Basic Description

Taxonomic Classification

Associated Targets(Human)

Associated Targets(non-human)

Mechanisms of Action

Names and Identifiers

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

Chemical and Physical Properties

Citations of This Product

Solution Calculators

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

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