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1,3-Dioxoisoindolin-2-yl cyclohexanecarboxylate - 97%, high purity , CAS No.126812-30-4

COA

Grade & Purity:

≥97%

Cas Number: 126812-30-4
Molecular Weight: 273.28
EC Number: ‘847-051-2
PubChem CID: 704835
PubChem SID: 504759946

In stock

Item Number

D586877

Grouped product items
SKU	Size	Availability	Price
D586877-1g	1g	2	$59.90
D586877-5g	5g	1	$202.90
D586877-25g	25g	1	$909.90
D586877-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$3,271.90

Basic Description

Synonyms	MFCD02189535 \| A1-33265 \| STK223456 \| IDI1_022073 \| BFA81230 \| SR-01000504847-1 \| HMS1484N05 \| Cambridge id 7029765 \| BRD-K17570253-001-01-0 \| AT20652 \| AN-979/15447008 \| SR-01000504847 \| ChemDiv3_004163 \| (1,3-dioxoisoindol-2-yl) cyclohexanecarboxylate \|
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Protected from light,Argon charged
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 Organoheterocyclic compounds
  - Class Isoindoles and derivatives
    - Subclass Isoindolines
      - Level5 Isoindolones
        Level6 Phthalimides

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Isoindoles and derivatives
Subclass	Isoindolines
Intermediate Tree Nodes	Isoindolones
Direct Parent	Phthalimides
Alternative Parents	Isoindoles Benzenoids Carboxylic acid salts Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Phthalimide - Isoindole - Benzenoid - Carboxylic acid salt - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as phthalimides. These are aromatic heterocyclic compounds containing a 1,3-dioxoisoindoline moiety. They are imide derivatives of phthalic anhydrides.
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

Pubchem Sid	504759946
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504759946
IUPAC Name	(1,3-dioxoisoindol-2-yl) cyclohexanecarboxylate
INCHI	InChI=1S/C15H15NO4/c17-13-11-8-4-5-9-12(11)14(18)16(13)20-15(19)10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2
InChIKey	VXTXIRMTGIZWEI-UHFFFAOYSA-N
Smiles	C1CCC(CC1)C(=O)ON2C(=O)C3=CC=CC=C3C2=O
Isomeric SMILES	C1CCC(CC1)C(=O)ON2C(=O)C3=CC=CC=C3C2=O
Molecular Weight	273.28
Reaxy-Rn	6976020
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6976020&ln=

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

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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7 results found

Lot Number	Certificate Type	Date	Item
J2330260	Certificate of Analysis	Sep 20, 2023	D586877
J2330263	Certificate of Analysis	Sep 20, 2023	D586877
J2330261	Certificate of Analysis	Sep 20, 2023	D586877
J2330265	Certificate of Analysis	Sep 20, 2023	D586877
J2330262	Certificate of Analysis	Sep 20, 2023	D586877
J2330264	Certificate of Analysis	Sep 20, 2023	D586877
J2330302	Certificate of Analysis	Sep 20, 2023	D586877

Chemical and Physical Properties

Sensitivity	light sensitive
Molecular Weight	273.280 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	273.1 Da
Monoisotopic Mass	273.1 Da
Topological Polar Surface Area	63.700 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	404.000
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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