2-[(3-Nitro-2-pyridyl)thio]acetic acid

Base Information

Chemical Name:2-[(3-Nitro-2-pyridyl)thio]acetic acid
CAS No.:18504-80-8
Molecular Formula:C7H6N2O4S
Molecular Weight:214.202
Hs Code.:2933399090
NSC Number:101844
DSSTox Substance ID:DTXSID10295425
Wikidata:Q82035361
ChEMBL ID:CHEMBL1742002
Mol file:18504-80-8.mol

Synonyms:2-[(3-nitro-2-pyridyl)thio]acetic acid;18504-80-8;2-((3-Nitropyridin-2-yl)thio)acetic acid;NSC101844;2-(3-nitropyridin-2-yl)sulfanylacetic acid;NSC-101844;2-(3-Nitro-2-pyridylthio)acetic acid;Maybridge1_004963;NCIStruc1_000937;NCIStruc2_000863;CHEMBL1742002;SCHEMBL13401781;SCHEMBL17229241;HMS555J13;3-Nitropyrid-2-ylthioacetic acid;DTXSID10295425;WBPUHBNGHSAAGT-UHFFFAOYSA-N;CCG-37802;MFCD00174245;NCGC00014062;NCI101844;AKOS000180048;Acetic acid, (3-nitro-2-pyridyl)thio-;NCGC00014062-02;NCGC00097171-01;NCI60_000053;2-((3-Nitropyridin-2-yl)thio)aceticacid;CS-0358330;[(3-Nitro-2-pyridinyl)sulfanyl]acetic acid #;2-[(3-NITRO-2-PYRIDYL)THIO]ACETICACID;2-[(3-nitropyridin-2-yl)sulfanyl]acetic acid;((3-(hydroxy(oxido)amino)-2-pyridinyl)thio)acetic acid;U2Q

Suppliers and Price of 2-[(3-Nitro-2-pyridyl)thio]acetic 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

SynQuest Laboratories
[(3-Nitropyridin-2-yl)thio]acetic acid
1 g
$ 408.00

Matrix Scientific
2-[(3-Nitro-2-pyridyl)thio]acetic acid 97%
1g
$ 304.00

Crysdot
2-((3-Nitropyridin-2-yl)thio)aceticacid 97%
5g
$ 766.00

Atlantic Research Chemicals
2-[(3-Nitro-2-pyridyl)thio]aceticacid 95%
250mgs:
$ 137.85

American Custom Chemicals Corporation
2-(3-NITRO-2-PYRIDYLTHIO)ACETIC ACID 95.00%
1G
$ 766.46

AK Scientific
2-[(3-Nitro-2-pyridyl)thio]aceticacid
1g
$ 460.00

Total 9 raw suppliers

Chemical Property of 2-[(3-Nitro-2-pyridyl)thio]acetic acid

Chemical Property:

Vapor Pressure:1.41E-07mmHg at 25°C
Boiling Point:413.5°Cat760mmHg
Flash Point:203.9°C
PSA：121.31000
Density:1.56g/cm³
LogP:1.68970
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:214.00482785
Heavy Atom Count:14
Complexity:230

Purity/Quality:

99%, ^*data from raw suppliers

[(3-Nitropyridin-2-yl)thio]acetic acid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=C(N=C1)SCC(=O)O)[N+](=O)[O-]

Technology Process of 2-[(3-Nitro-2-pyridyl)thio]acetic acid

There total 4 articles about 2-[(3-Nitro-2-pyridyl)thio]acetic 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%

: 24100-65-0
ethyl 2-[(3-nitropyridin-2-yl)sulfanyl]acetate

: 18504-80-8
2-[(3-nitropyridin-2-yl)sulfanyl]acetic acid

Guidance literature:: ethyl 2-[(3-nitropyridin-2-yl)sulfanyl]acetate; With sodium hydroxide; In ethanol; water; at 20 ℃; for 1h;

With hydrogenchloride; In water;
DOI:10.2174/092986711796504718

Reference yield: 80.0%

: 5470-18-8,34515-82-7
2-Chloro-3-nitropyridine

: 68-11-1
mercaptoacetic acid

: 18504-80-8
2-[(3-nitropyridin-2-yl)sulfanyl]acetic acid

Guidance literature:: With sodium hydroxide; In ethanol; for 1h; Heating;
DOI:10.1002/(SICI)1521-4184(19991)332:1<19::AID-ARDP19>3.0.CO;2-M

Reference yield:

: 5470-18-8,34515-82-7
2-Chloro-3-nitropyridine

: 18504-80-8
2-[(3-nitropyridin-2-yl)sulfanyl]acetic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: sodium hydride / tetrahydrofuran / 0.5 h / Inert atmosphere

1.2: 0.5 h / Inert atmosphere

2.1: sodium hydroxide / ethanol; water / 1 h / 20 °C

With sodium hydride; sodium hydroxide; In tetrahydrofuran; ethanol; water;
DOI:10.2174/092986711796504718