5-Nitronicotinic acid

Base Information

Chemical Name:5-Nitronicotinic acid
CAS No.:2047-49-6
Molecular Formula:C6H4N2O4
Molecular Weight:168.109
Hs Code.:29349990
European Community (EC) Number:633-792-7
DSSTox Substance ID:DTXSID20363846
Nikkaji Number:J1.053.380E
Wikidata:Q72495058
ChEMBL ID:CHEMBL3617322
Mol file:2047-49-6.mol

Synonyms:5-NITRONICOTINIC ACID;2047-49-6;5-nitropyridine-3-carboxylic Acid;5-Nitronicotinicacid;3-Pyridinecarboxylic acid, 5-nitro-;5-Nitro Nicotinic Acid;5-NITROPYRIDIN-3-YLCARBOXYLIC ACID;CHEMBL3617322;MFCD04038690;5-Nitro-3-pyridinecarboxylic acid;3-Carboxy-5-nitropyridine;5-Nitro-nicotinsaeure;5-Nitro-nicotinic acid;SCHEMBL940807;DTXSID20363846;BDBM50122016;AKOS005199247;AB17149;GS-6247;AC-27370;BL002482;SY008742;A4454;AM20050928;BB 0246833;CS-0030489;FT-0634000;EN300-112990;TERT-BUTYL2-AMINO-2-THIOXOETHYLCARBAMATE;W-206518;Z1201622689

Suppliers and Price of 5-Nitronicotinic 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
5-NitroNicotinicAcid
250mg
$ 425.00

SynQuest Laboratories
5-Nitronicotinic acid
5 g
$ 452.00

SynQuest Laboratories
5-Nitronicotinic acid
1 g
$ 120.00

SynChem
5-NITRONICOTINIC ACID 95%
1 g
$ 100.00

Labseeker
5-NITRO-3-PYRIDINECARBOXYLICACID 95
10g
$ 693.00

Labseeker
5-NITRO-3-PYRIDINECARBOXYLICACID 95
5g
$ 539.00

Labseeker
5-NITRO-3-PYRIDINECARBOXYLICACID 95
25g
$ 925.00

Frontier Specialty Chemicals
5-Nitronicotinicacid
1g
$ 216.00

Crysdot
5-Nitronicotinicacid 97+%
5g
$ 287.00

Crysdot
5-Nitronicotinicacid 97+%
10g
$ 436.00

Total 78 raw suppliers

Chemical Property of 5-Nitronicotinic acid

Chemical Property:

Vapor Pressure:4.12E-06mmHg at 25°C
Melting Point:171-173 °C
Refractive Index:1.624
Boiling Point:369.477 °C at 760 mmHg
PKA:2.75±0.10(Predicted)
Flash Point:177.254 °C
PSA：96.01000
Density:1.571 g/cm³
LogP:1.21120
Storage Temp.:Inert atmosphere,Room Temperature
Solubility.:DMSO (Slightly), Methanol (Slightly)
XLogP3:0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:168.01710661
Heavy Atom Count:12
Complexity:200

Purity/Quality:

99%, ^*data from raw suppliers

5-NitroNicotinicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Safety Statements: 24/25

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=C(C=NC=C1[N+](=O)[O-])C(=O)O
Uses An intermediate in the synthesis of nicotinamide with potential anticoccidial activity.

Technology Process of 5-Nitronicotinic acid

There total 6 articles about 5-Nitronicotinic 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:

: 6960-20-9
3-methyl-5-nitropyridine

: 2047-49-6
5-nitropyridine-3-carboxylic acid

Guidance literature:: With potassium permanganate; water;
DOI:10.1021/ja01641a016

Reference yield:

: 23056-40-8
2-chloro-5-methyl-3-nitro-pyridine

: 2047-49-6
5-nitropyridine-3-carboxylic acid

Guidance literature:: Multi-step reaction with 3 steps

1: ethanol; N₂H₄+H₂O

2: aqueous acetic acid; aqueous copper (II)-sulfate solution

3: KMnO₄; H₂O

With potassium permanganate; ethanol; water; hydrazine hydrate; copper(II) sulfate; acetic acid;
DOI:10.1021/ja01641a016

Reference yield:

: 7464-14-4
2-hydroxy-5-methyl-3-nitropyridine

: 2047-49-6
5-nitropyridine-3-carboxylic acid

Guidance literature:: Multi-step reaction with 4 steps

1: phosphorus (V)-chloride; phosphoryl chloride

2: ethanol; N₂H₄+H₂O

3: aqueous acetic acid; aqueous copper (II)-sulfate solution

4: KMnO₄; H₂O

With potassium permanganate; ethanol; phosphorus pentachloride; water; hydrazine hydrate; copper(II) sulfate; acetic acid; trichlorophosphate;
DOI:10.1021/ja01641a016