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5-Fluoro-2-methyl-1H-indene-3-acetic acid - ≥98%, high purity , CAS No.32004-66-3

COA

Grade & Purity:

≥98%

Cas Number: 32004-66-3
Molecular Weight: 206.22
EC Number: 250-891-7,924-772-1
MDL number: MFCD01076194
PubChem CID: 3015608

In stock

Item Number

F134113

Grouped product items
SKU	Size	Availability	Price
F134113-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$23.90
F134113-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$66.90
F134113-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$239.90

View related series

Benzene ring compounds (72) carboxylic acid (2098)

Basic Description

Synonyms	32004-66-3 \| (5-fluoro-2-methyl-1H-inden-3-yl)acetic acid \| 2-(5-fluoro-2-methyl-1H-inden-3-yl)acetic acid \| 5-Fluoro-2-methyl-1H-indene-3-acetic acid \| 2-(6-fluoro-2-methyl-3H-inden-1-yl)acetic acid \| 5-Fluoro-2-methylindene-3-acetic acid \| VZD5DN5H64 \| EINECS 250-891
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Indenes and isoindenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Indenes and isoindenes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Indenes and isoindenes
Alternative Parents	Aryl fluorides Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Indene - Aryl halide - Aryl fluoride - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Carbonyl group - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as indenes and isoindenes. These are compounds containing an indene moiety(which consists of a cyclopentadiene fused to a benzene ring), or a isoindene moiety (which consists of a cyclopentadiene fused to cyclohexadiene ring).
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

Names and Identifiers

IUPAC Name	2-(6-fluoro-2-methyl-3H-inden-1-yl)acetic acid
INCHI	InChI=1S/C12H11FO2/c1-7-4-8-2-3-9(13)5-11(8)10(7)6-12(14)15/h2-3,5H,4,6H2,1H3,(H,14,15)
InChIKey	QDDPPRDVFIJASZ-UHFFFAOYSA-N
Smiles	CC1=C(C2=C(C1)C=CC(=C2)F)CC(=O)O
Isomeric SMILES	CC1=C(C2=C(C1)C=CC(=C2)F)CC(=O)O
Alternate CAS	32004-66-3
Molecular Weight	206.22
Reaxy-Rn	2110164
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2110164&ln=

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

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Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
J2414474	Certificate of Analysis	Jun 25, 2024	F134113
J2414475	Certificate of Analysis	Jun 25, 2024	F134113
J2414477	Certificate of Analysis	Jun 25, 2024	F134113
J2414541	Certificate of Analysis	Jun 25, 2024	F134113
J2414473	Certificate of Analysis	Jun 25, 2024	F134113
J2414476	Certificate of Analysis	Jun 25, 2024	F134113

Chemical and Physical Properties

Molecular Weight	206.210 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	206.074 Da
Monoisotopic Mass	206.074 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	309.000
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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