Trichloroacetic anhydride

• CAS: 4124-31-6
• Catalog Number: ACM4124316
• Category: Acylation Reagents
• Molecular Weight: 308.76
• Molecular Formula: C4Cl6O3
• Synonyms: PERCHLOROACETIC ANHYDRIDE;TCAA;trichloro-aceticacianhydride;TRICHLOROACETIC ACID ANHYDRIDE;TRICHLOROACETIC ANHYDRIDE;Trichloroacetic acid anhydride (TCAA);TRICHLOROACETIC ANHYDRIDE, TECH., 95%;TrichloroaceticAnhydride97%
• Boiling Point: 139-141 °C
• Flash Point: 98-100°C/11mm
• Density: 1.69 g/mL at 25 °C (lit.)
• Hazard Statements: C
• Physical State: Liquid
• Safety Description: 26-36/37/39-45
• Supplemental Hazard Statements: H318-H302-H314
• Symbol: GHS05,GHS07

Custom Q&A

What is the molecular weight of Trichloroacetic anhydride?

The molecular weight of Trichloroacetic anhydride is 308.7 g/mol.

What is the IUPAC name of Trichloroacetic anhydride?

The IUPAC name of Trichloroacetic anhydride is (2,2,2-trichloroacetyl) 2,2,2-trichloroacetate.

What is the Canonical SMILES of Trichloroacetic anhydride?

The Canonical SMILES of Trichloroacetic anhydride is C(=O)(C(Cl)(Cl)Cl)OC(=O)C(Cl)(Cl)Cl.

What is the CAS number of Trichloroacetic anhydride?

The CAS number of Trichloroacetic anhydride is 4124-31-6.

What is the XLogP3-AA value of Trichloroacetic anhydride?

The XLogP3-AA value of Trichloroacetic anhydride is 3.6.

How many hydrogen bond acceptor count does Trichloroacetic anhydride have?

Trichloroacetic anhydride has 3 hydrogen bond acceptor count.

What is the topological polar surface area of Trichloroacetic anhydride?

The topological polar surface area of Trichloroacetic anhydride is 43.4 Å^2.

How many rotatable bond count does Trichloroacetic anhydride have?

Trichloroacetic anhydride has 2 rotatable bond count.

Is Trichloroacetic anhydride considered as a canonicalized compound?

Yes, Trichloroacetic anhydride is considered as a canonicalized compound.

When was Trichloroacetic anhydride first created and last modified?

Trichloroacetic anhydride was first created on March 27, 2005, and last modified on December 30, 2023.

Synthetic Use

Downstream Synthesis Route 1

• 109-97-7
• 4124-31-6

• 2557-70-2

Reference: [1] Patent: US3963746, 1976, A,

Downstream Synthesis Route 2

• 109-97-7
• 4124-31-6

• 35302-72-8

Reference: [1] Tetrahedron, 1980, vol. 36, p. 2505 - 2512

Downstream Synthesis Route 3

• 15878-00-9
• 4124-31-6

• 98027-89-5

Reference: [1]Justus Liebigs Annalen der Chemie,1956,vol. 598,p. 186,197

Downstream Synthesis Route 4

• 1594-58-7
• 4124-31-6

• 49773-09-3

Reference: [1]Chemical and Pharmaceutical Bulletin,1973,vol. 21,p. 1641 - 1650

Downstream Synthesis Route 5

• 1141922-26-0
• 4124-31-6

• 1195-25-1

Reference: [1]Current Patent Assignee: RESVERLOGIX CORP - WO2010/123975, 2010, A1
Location in patent: Page/Page column 105-106
[2]Current Patent Assignee: ZENITH CAPITAL CORP - US2013/281398, 2013, A1
Location in patent: Paragraph 0501; 0502
[3]Moussebois,C.; Eloy,F.
[Helvetica Chimica Acta, 1964, vol. 47, p. 838 - 848]
[4]Current Patent Assignee: ASTRAZENECA PLC - WO2007/99326, 2007, A1
Location in patent: Page/Page column 105

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