3-Methylphthalic Anhydride - ≥96%(T) , CAS No.4792-30-7

CAS: 4792-30-7 Cat. No.: M158785 Summenformel: C₉H₆O₃ Molekulargewicht: 162.14 Beilstein Registry Number: 17(5)11,271 EG-Nummer: 225-344-0

GRADE & PURITY ≥96%(T)

Synonyms

2,3-Toluenedicarboxylic anhydride | UNII-BJC50EL71I | 4-Methyl-2-benzofuran-1,3-dione # | 1,3-Isobenzofurandione, 4-methyl- | MFCD00047316 | 4-methyl-isobenzofuran-1,3-dione | 4-methylisobenzofuran-1,3-dione | 1,3-Isobenzofurandione, methyl- | SY049258 |

Storage

Argon charged,Room temperature

Shipped In

Normal

Übersicht

Application

3-Methylphthalic anhydride can react with Methylamine hydrochloride to get 2,3-Dihydro-2,4-dimethyl-1H-isoindole-1,3-dione.

Specifications

Synonyme

2,3-Toluenedicarboxylic anhydride | UNII-BJC50EL71I | 4-Methyl-2-benzofuran-1,3-dione # | 1,3-Isobenzofurandione, 4-methyl- | MFCD00047316 | 4-methyl-isobenzofuran-1,3-dione | 4-methylisobenzofuran-1,3-dione | 1,3-Isobenzofurandione, methyl- | SY049258 |

Spezifikationen & Reinheit

≥96%(T)

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥96%(T)

Namen und Kennungen

Pubchem Sid

504756403

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756403

Kanonisches Lächeln

CC1=C2C(=CC=C1)C(=O)OC2=O

IUPAC Name

4-methyl-2-benzofuran-1,3-dione

InChIKey

TWWAWPHAOPTQEU-UHFFFAOYSA-N

INCHI

1S/C9H6O3/c1-5-3-2-4-6-7(5)9(11)12-8(6)10/h2-4H,1H3

Isomere SMILES

CC1=C2C(=CC=C1)C(=O)OC2=O

Molekulargewicht

162.14

Beilstein

17(5)11,271

Reaxy-Rn

128904

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=128904&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Benzofurans
      • Subclass Benzofuranones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Benzofurans
• Subclass: Benzofuranones
• Intermediate Tree Nodes: Not available
• Direct Parent: Phthalic anhydrides
• Alternative Parents: Isobenzofuranones Dicarboxylic acids and derivatives Benzenoids Carboxylic acid anhydrides Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalic anhydride - Phthalic_anhydride - Isobenzofuranone - Isocoumaran - Benzenoid - Dicarboxylic acid or derivatives - Carboxylic acid anhydride - Oxacycle - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: 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

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

Zugehörige Ziele (menschlich)

TYMS Tclin Thymidylate synthase (1651 Activities)

Discover Target: TYMS

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Reacts with water.
• Empfindlichkeit: Moisture sensitive.
• Schmelzpunkt (°C): 114-119°C
• Molekulargewicht: 162.140 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 162.032 Da
• Monoisotopic Mass: 162.032 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 234.000
• 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

Häufig gestellte Fragen

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 4792-30-7, the molecular formula is C9H6O3, and the molecular weight is 162.14 g/mol. InChIKey TWWAWPHAOPTQEU-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.