3-Fluorophthalic anhydride - 98%, high purity , CAS No.652-39-1

Name: 3-Fluorophthalic anhydride - 98%, high purity , CAS No.652-39-1
Price: 28.9 USD
Availability: InStock

Grade & Purity:

In stock

Item Number

F123562

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SKU	Size	Availability	Price
F123562-1g	1g	2	$28.90
F123562-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$108.90
F123562-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$167.90
F123562-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$322.90
F123562-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$1,159.90

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Synonyms	AC-6941 \| 4-Fluoro-2-benzofuran-1,3-dione # \| 3-fluorophthalic acid anhydride \| InChI=1/C8H3FO3/c9-5-3-1-2-4-6(5)8(11)12-7(4)10/h1-3 \| J-512556 \| FD2087 \| fluorophthalic anhydride \| 4-Fluoro-1,3-Isobenzofurandione \| 3-Fluorophthalic anhydride, 95% \| AMY27
Specifications & Purity	≥98%
Storage Temp	Argon charged
Shipped In	Normal
Product Description	3-Fluorophthalic anhydride undergoes reduction with NaBH4 to afford 4-fluorophthalide and 7-fluorophthalide. It can be synthesized starting from 3-nitrophthaloyl dichloride. Used in the preparation of substituted benzamides with potential neuroleptic activity.

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzofurans
Subclass	Benzofuranones
Intermediate Tree Nodes	Not available
Direct Parent	Phthalic anhydrides
Alternative Parents	Isobenzofuranones Dicarboxylic acids and derivatives Benzenoids Aryl fluorides Vinylogous halides Carboxylic acid anhydrides Oxacyclic compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Phthalic anhydride - Phthalic_anhydride - Isobenzofuranone - Isocoumaran - Aryl fluoride - Aryl halide - Dicarboxylic acid or derivatives - Benzenoid - Carboxylic acid anhydride - Vinylogous halide - Carboxylic acid derivative - Oxacycle - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organofluoride - Organooxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as phthalic anhydrides. These are compounds containing a phthalic anhydride moiety (or a derivative thereof), which consists of a benzene fused to a furan-1,3-dione.
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

Pubchem Sid	504754407
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504754407
IUPAC Name	4-fluoro-2-benzofuran-1,3-dione
INCHI	InChI=1S/C8H3FO3/c9-5-3-1-2-4-6(5)8(11)12-7(4)10/h1-3H
InChIKey	WWJAZKZLSDRAIV-UHFFFAOYSA-N
Smiles	C1=CC2=C(C(=C1)F)C(=O)OC2=O
Isomeric SMILES	C1=CC2=C(C(=C1)F)C(=O)OC2=O
WGK Germany	3
Molecular Weight	166.11
Beilstein	1283580
Reaxy-Rn	1283580
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1283580&ln=

Lot Number	Certificate Type	Date	Item
L1916029	Certificate of Analysis	Oct 16, 2023	F123562
G1517029	Certificate of Analysis	Aug 04, 2023	F123562

Sensitivity	Moisture Sensitive
Boil Point(°C)	283°C
Melt Point(°C)	160.0 - 163.0 °C
Molecular Weight	166.110 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	166.007 Da
Monoisotopic Mass	166.007 Da
Topological Polar Surface Area	43.400 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	238.000
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

Basic Description