4-Methylphthalic anhydride

• CAS: 19438-61-0
• Catalog Number: ACM19438610
• Category: Polymer/Macromolecule
• Molecular Weight: 162.14
• Molecular Formula: C9H6O3
• Synonyms: 1,3-Isobenzofurandione, 5-methyl-;5-Methyl-2-benzofuran-1,3-dione;5-methyl-3-isobenzofurandione;4-METHYLPHTHALIC ANHYDRIDE;4-Methylphalic Anhydride;4-METHYLPHTHALIC ANHYDRIDE 95+%;Resorcinol dibenzoate;5-METHYLISOBENZOFURAN-1,3-DIONE
• Boiling Point: 295 °C at 760 mmHg

Custom Q&A

What is the molecular formula of 4-Methylphthalic anhydride?

The molecular formula of 4-Methylphthalic anhydride is C9H6O3.

When was the PubChem CID for 4-Methylphthalic anhydride created?

The PubChem CID for 4-Methylphthalic anhydride was created on March 27, 2005.

What is the IUPAC name of 4-Methylphthalic anhydride?

The IUPAC name of 4-Methylphthalic anhydride is 5-methyl-2-benzofuran-1,3-dione.

What is the Canonical SMILES representation of 4-Methylphthalic anhydride?

The Canonical SMILES representation of 4-Methylphthalic anhydride is CC1=CC2=C(C=C1)C(=O)OC2=O.

How many hydrogen bond acceptor counts does this compound have?

4-Methylphthalic anhydride has 3 hydrogen bond acceptor counts.

What is the topological polar surface area of 4-Methylphthalic anhydride?

The topological polar surface area of 4-Methylphthalic anhydride is 43.4Ų.

How many heavy atoms are present in the compound?

There are 12 heavy atoms present in 4-Methylphthalic anhydride.

Does 4-Methylphthalic anhydride have any defined atom stereocenter count?

No, 4-Methylphthalic anhydride does not have any defined atom stereocenter count.

What is the complexity value of 4-Methylphthalic anhydride?

The complexity value of 4-Methylphthalic anhydride is 234.

Is the compound canonicalized?

Yes, the compound is canonicalized.

Synthetic Use

Upstream Synthesis Route 1

• 4316-23-8

• 19438-61-0

Reference: [1] Organic Letters, 2010, vol. 12, # 21, p. 4796 - 4799
[2] Monatshefte fuer Chemie, 1891, vol. 12, p. 626
[3] Patent: US2016/376285, 2016, A1, . Location in patent: Paragraph 0121

Upstream Synthesis Route 2

• 1694-82-2

• 19438-61-0
• 19438-60-9
• 99-94-5
• 99-04-7

Reference: [1] Journal of applied chemistry of the USSR, 1987, vol. 60, # 1 pt 2, p. 136 - 138
[2] Journal of applied chemistry of the USSR, 1987, vol. 60, # 1 pt 2, p. 136 - 138

Downstream Synthesis Route 1

• 19438-61-0

• 40314-06-5

Reference: [1] Patent: EP1595866, 2005, A1, . Location in patent: Page/Page column 27

Downstream Synthesis Route 2

• 19438-61-0

• 40314-06-5

Reference: [1]Chemical Papers,2020,vol. 74,p. 1351 - 1357

* For details of the synthesis route, please refer to the original source to ensure accuracy.