Dimethyl 5-nitroisophthalate 98+%

• CAS: 57052-99-0
• Catalog Number: ACM57052990
• Category: Other Products
• Molecular Weight: 239.18156
• Molecular Formula: C₁₀H₉NO₆
• Synonyms: DIMETHYL 5-NITROISOPHTHALATE 98+%;Dimethyl 2-Nitroisophthalate
• IUPAC Name: dimethyl 5-nitrobenzene-1,3-dicarboxylate
• Canonical SMILES: COC(=O)C1=C(C(=CC=C1)C(=O)OC)[N+](=O)[O-]
• InChI Key: GGTSJKFPGKFLCZ-UHFFFAOYSA-N
• Boiling Point: 360.2ºC at 760 mmHg
• Melting Point: 121-123ºC
• Flash Point: 164.8ºC
• Density: 1.35 g/cm³
• Exact Mass: 239.04300
• Hazard Statements: Xi
• H-Bond Acceptor: 6
• H-Bond Donor: 0

Synthetic Use

Upstream Synthesis Route 1

• 67-56-1
• 21161-11-5

• 57052-99-0

Reference: [1]Patent: WO2014/108671,2014,A1 .Location in patent: Page/Page column 23

Upstream Synthesis Route 2

• 21161-11-5
• 77-78-1

• 57052-99-0

Reference: [1]Chemische Berichte,1906,vol. 39,p. 74

Downstream Synthesis Route 1

• 57052-99-0

• 861593-27-3

Reference: [1] Chemische Berichte, 1910, vol. 43, p. 3474

Downstream Synthesis Route 2

• 57052-99-0

• 861593-27-3

Reference: [1]Chemische Berichte,1910,vol. 43,p. 3474

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