2-NITRO-ISOPHTHALIC ACID

Base Information

Chemical Name:2-NITRO-ISOPHTHALIC ACID
CAS No.:21161-11-5
Molecular Formula:C8H5 N O6
Molecular Weight:211.131
Hs Code.:2917399090
European Community (EC) Number:244-253-7
UNII:5H9GDZ2GTY
DSSTox Substance ID:DTXSID30175396
Nikkaji Number:J226.155C
Wikidata:Q72494911
Mol file:21161-11-5.mol

Synonyms:2-Nitro-1,3-benzenedicarboxylicacid; 2-Nitroisophthalic acid; 3-Carboxy-2-nitrobenzoic acid

Suppliers and Price of 2-NITRO-ISOPHTHALIC ACID

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
2-Nitroisophthalic Acid
5g
$ 125.00

TCI Chemical
2-Nitroisophthalic Acid >95.0%(HPLC)(T)
5g
$ 67.00

Matrix Scientific
2-Nitroisophthalic acid 95%
5g
$ 133.00

Crysdot
2-Nitroisophthalic Acid 98%
100g
$ 200.00

ChemScene
2-Nitro-1,3-benzenedicarboxylicacid 99.72%
10g
$ 40.00

ChemScene
2-Nitro-1,3-benzenedicarboxylicacid 99.72%
25g
$ 74.00

Chemenu
2-Nitroisophthalic Acid 95+%
10g
$ 104.00

Chemenu
2-Nitroisophthalic Acid 95+%
25g
$ 206.00

American Custom Chemicals Corporation
2-NITRO-ISOPHTHALIC ACID 95.00%
1G
$ 925.16

Alichem
2-Nitroisophthalic Acid
25g
$ 244.44

Total 52 raw suppliers

Chemical Property of 2-NITRO-ISOPHTHALIC ACID

Chemical Property:

Vapor Pressure:8.83E-10mmHg at 25°C
Melting Point:314oC
Boiling Point:473.7°Cat760mmHg
PKA:1.52±0.10(Predicted)
Flash Point:214°C
PSA：120.42000
Density:1.671g/cm³
LogP:1.51440
Storage Temp.:Sealed in dry,Room Temperature
Solubility.:Dichloromethane, Ethyl Acetate, Methanol
XLogP3:0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:211.01168688
Heavy Atom Count:15
Complexity:274

Purity/Quality:

98% ^*data from raw suppliers

2-Nitroisophthalic Acid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Statements: 36/37/38
Safety Statements: 26-36

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=C(C(=C1)C(=O)O)[N+](=O)[O-])C(=O)O
Uses 2-Nitroisophthalic Acid 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.

Technology Process of 2-NITRO-ISOPHTHALIC ACID

There total 7 articles about 2-NITRO-ISOPHTHALIC ACID which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 96.0%

: 81-20-9
2,6-dimethylnitrobenzene

: 21161-11-5
2-nitroisophthalic acid

Guidance literature:: With potassium permanganate; water; sodium hydroxide; at 100 ℃; for 48h; Temperature;

Reference yield:

: 81-20-9
2,6-dimethylnitrobenzene

: 5437-38-7
3-methyl-2-nitrobenzoic acid

: 21161-11-5
2-nitroisophthalic acid

Guidance literature:: With cobalt(II) acetate; acetaldehyde; acetic acid; In water; at 100 ℃; for 4h; Temperature; Reagent/catalyst; Sealed tube; Inert atmosphere;