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4,7-Dichloroisatin - >97.0%, high purity , CAS No.18711-13-2

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4,7-Dichloroisatin - >97.0%, high purity , CAS No.18711-13-2

COA

Grade & Purity:

≥97%

Cas Number: 18711-13-2
Molecular Weight: 216.02
MDL number: MFCD00047214
PubChem CID: 2734793
PubChem SID: 488192662

In stock

Item Number

D155840

Grouped product items
SKU	Size	Availability	Price
D155840-1g	1g	4	$42.90
D155840-5g	5g	4	$162.90
D155840-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$731.90

View related series

azole (525) Halogenated heterocyclic block (1171)

Basic Description

Synonyms	4,7-dichloro-2,3-dihydro-1H-indole-2,3-dione \| SR-01000597234-1 \| SY015247 \| 4,7-Dichloro-2,3-indolinedione \| SCHEMBL281619 \| PS-4561 \| 4,7-dichloro-1H-indole-2,3-dione \| AC-24981 \| PD181958 \| AN-584/40963389 \| MFCD00047214 \| NUXYYWOWNFEMNH-UHFFFAOYSA-N \|
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Indoles and derivatives
    - Subclass Indolines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Indoles and derivatives
Subclass	Indolines
Intermediate Tree Nodes	Not available
Direct Parent	Indolines
Alternative Parents	Aryl ketones Benzenoids Aryl chlorides Vinylogous halides Vinylogous amides Secondary carboxylic acid amides Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Dihydroindole - Aryl ketone - Aryl chloride - Aryl halide - Benzenoid - Vinylogous amide - Vinylogous halide - Carboxamide group - Ketone - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.
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)

CES1 Tchem Liver carboxylesterase 1 (1 Activities)

Discover Target: CES1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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

BCHE Tclin Butyrylcholinesterase (7174 Activities)

Discover Target: BCHE

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

CES1 Tchem Acyl coenzyme A:cholesterol acyltransferase (1029 Activities)

Discover Target: CES1

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	488192662
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488192662
IUPAC Name	4,7-dichloro-1H-indole-2,3-dione
INCHI	InChI=1S/C8H3Cl2NO2/c9-3-1-2-4(10)6-5(3)7(12)8(13)11-6/h1-2H,(H,11,12,13)
InChIKey	NUXYYWOWNFEMNH-UHFFFAOYSA-N
Smiles	C1=CC(=C2C(=C1Cl)C(=O)C(=O)N2)Cl
Isomeric SMILES	C1=CC(=C2C(=C1Cl)C(=O)C(=O)N2)Cl
WGK Germany	3
Molecular Weight	216.02
Reaxy-Rn	168731
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=168731&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.

3 results found

Lot Number	Certificate Type	Date	Item
G1915201	Certificate of Analysis	May 08, 2023	D155840
G2303571	Certificate of Analysis	May 08, 2023	D155840
D2307291	Certificate of Analysis	Apr 19, 2023	D155840

Chemical and Physical Properties

Solubility	Soluble in Methanol
Melt Point(°C)	252°C(lit.)
Molecular Weight	216.020 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	214.954 Da
Monoisotopic Mass	214.954 Da
Topological Polar Surface Area	46.200 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	269.000
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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