2-Nitroisophthalic Acid - CAS 21161-11-5

Catalog: BB016655
Product Name: 2-Nitroisophthalic Acid
CAS: 21161-11-5
Synonyms: 2-nitrobenzene-1,3-dicarboxylic acid; 2-nitrobenzene-1,3-dicarboxylic acid
2-Nitroisophthalic Acid
IUPAC Name:2-nitrobenzene-1,3-dicarboxylic acid
Description:2-Nitroisophthalic Acid (CAS# 21161-11-5) is an intermediate in the synthesis of 2,6-Dihydroxymethyl Rilpivirine (D446615), which is an analog of Rilpivirine (R509800) a novel non-nucleoside reverse transcriptase inhibitor. Rilpivirine seems to be well tolerated with less CNS disturbance than Efavirenz, and has non-teratogenic potential. An anti-HIV agent.
Molecular Weight:211.13
Molecular Formula:C8H5NO6
Canonical SMILES:C1=CC(=C(C(=C1)C(=O)O)[N+](=O)[O-])C(=O)O
InChI:InChI=1S/C8H5NO6/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15/h1-3H,(H,10,11)(H,12,13)
InChI Key:CAHWDGJDQYAFHM-UHFFFAOYSA-N
Boiling Point:473.7 ℃ at 760 mmHg
Density:1.671 g/cm3
LogP:1.51440

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