Itaconic Anhydride - ≥95% , CAS No.2170-03-8

CAS: 2170-03-8 Cat. No.: I132081 Formula: C₅H₄O₃ Peso molecolare: 112.08 Beilstein Registry Number: 17(3/4)5913 Numero EC: 218-518-2

GRADE & PURITY ≥95%

Synonyms

Monocalcium orthophosphate | 3-Methylene-dihydro-furan-2,5-dione | Tertiary magnesium phosphate | 3-Methylenedihydro-2,5-furandione | 3-Methylenetetrahydrofuran-2,5-dione;Itaconic anhydride | F0001-0774 | Itaconic anhydride, 95% | DTXSID8062230 | Benzoyl

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Panoramica

Itaconic anhydride (ITA) is a biobased material that is obtained from renewable resources. It is produced from the pyrolysis of citric acid or by fermenting carbohydrates which forms itanoic acid. Itanoic acid can be dehydrated to form an anhydride. It is relatively more reactive that maleic anhydride and can be used as an alternating monomer that facilitates the introduction of polar functionalities in polymers.

Specifications

Sinonimi

Monocalcium orthophosphate | 3-Methylene-dihydro-furan-2,5-dione | Tertiary magnesium phosphate | 3-Methylenedihydro-2,5-furandione | 3-Methylenetetrahydrofuran-2,5-dione;Itaconic anhydride | F0001-0774 | Itaconic anhydride, 95% | DTXSID8062230 | Benzoyl

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Nomi e identificatori

Pubchem Sid

508816556

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508816556

Sorrisi canonici

C=C1CC(=O)OC1=O

IUPAC Name

3-methylideneoxolane-2,5-dione

InChIKey

OFNISBHGPNMTMS-UHFFFAOYSA-N

INCHI

1S/C5H4O3/c1-3-2-4(6)8-5(3)7/h1-2H2

Isomeri SMILES

C=C1CC(=O)OC1=O

Peso molecolare

112.08

Beilstein

17(3/4)5913

Reaxy-Rn

2212

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2212&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Tetrahydrofurans Carboxylic acid anhydrides Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Tetrahydrofuran - Carboxylic acid anhydride - Lactone - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
• External Descriptors: a small molecule

Data sources

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

Obiettivi associati (umani)

HL-60 (67320 Activities)

Explore this target

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

FNTA Tclin Protein farnesyltransferase (3470 Activities)

Discover Target: FNTA

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Hydrolyzes in water.
• Sensibilità: Moisture sensitive
• Punto di ebollizione (°C): 115 °C/12 mmHg
• Punto di fusione (°C): 68 °C
• Peso molecolare: 112.080 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 112.016 Da
• Monoisotopic Mass: 112.016 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 169.000
• 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