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7-Fluoroisatin - 98%, high purity , CAS No.317-20-4

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7-Fluoroisatin - 98%, high purity , CAS No.317-20-4

COA

Grade & Purity:

≥98%

Cas Number: 317-20-4
Molecular Weight: 165.12
Beilstein Registry Number: 21(3/4)5005
MDL number: MFCD01569508
PubChem CID: 586418
PubChem SID: 504759377

In stock

Item Number

F156764

Grouped product items
SKU	Size	Availability	Price
F156764-1g	1g	3	$23.90
F156764-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$55.90
F156764-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$227.90
F156764-100g	100g	2	$817.90

View related series

azole (525) Five-Membered Heterocyclic Compounds (2064)

Basic Description

Synonyms	NITRAZEPAM [INN] \| 7-Fluoroindole-2,3-dione \| AM20060261 \| 7-Fluoro-1H-indole-2,3-dione;7-Fluoroisatin \| 7-Fluoroisatin \| 7-fluoro-1 H-indole-2,3-dione \| BBL017011 \| F-5610 \| AB09245 \| EN300-73880 \| BDBM22822 \| 7-Fluoroisatin Form I \| 7-Fluoro-1H-indole-2
Specifications & Purity	≥98%
Storage Temp	Argon charged
Shipped In	Normal
Product Description	Application 7-Fluoroisatin is used as the intermediate of cardiovascular, anti-inflammatory and bactericidal drugs.

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 fluorides Vinylogous amides Secondary carboxylic acid amides Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Dihydroindole - Aryl ketone - Aryl fluoride - Aryl halide - Benzenoid - Vinylogous amide - Carboxamide group - Ketone - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organofluoride - 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)

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	504759377
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504759377
IUPAC Name	7-fluoro-1H-indole-2,3-dione
INCHI	InChI=1S/C8H4FNO2/c9-5-3-1-2-4-6(5)10-8(12)7(4)11/h1-3H,(H,10,11,12)
InChIKey	HGBGVEOXPHGSOS-UHFFFAOYSA-N
Smiles	C1=CC2=C(C(=C1)F)NC(=O)C2=O
Isomeric SMILES	C1=CC2=C(C(=C1)F)NC(=O)C2=O
WGK Germany	3
Molecular Weight	165.12
Beilstein	21(3/4)5005
Reaxy-Rn	135317
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=135317&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.

9 results found

Lot Number	Certificate Type	Date	Item
I2313376	Certificate of Analysis	Oct 07, 2023	F156764
I2313377	Certificate of Analysis	Oct 07, 2023	F156764
D2320642	Certificate of Analysis	Apr 27, 2023	F156764
D2320623	Certificate of Analysis	Apr 27, 2023	F156764
D2320637	Certificate of Analysis	Apr 26, 2023	F156764
K2202731	Certificate of Analysis	Nov 08, 2022	F156764
K2202605	Certificate of Analysis	Nov 08, 2022	F156764
K2202544	Certificate of Analysis	Nov 05, 2022	F156764
K2202726	Certificate of Analysis	Nov 05, 2022	F156764

Chemical and Physical Properties

Solubility	Soluble in Dimethylformamide;Sparingly Soluble in water (0.022 g/L)
Sensitivity	Moisture sensitive.
Melt Point(°C)	194℃
Molecular Weight	165.120 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	165.023 Da
Monoisotopic Mass	165.023 Da
Topological Polar Surface Area	46.200 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	241.000
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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