3-Cinnolinecarboxylic acid, 4-amino-8-fluoro-, hydrate

Base Information

Chemical Name:3-Cinnolinecarboxylic acid, 4-amino-8-fluoro-, hydrate
CAS No.:161373-45-1
Molecular Formula:C₉H₆FN₃O₂
Molecular Weight:207.164
Hs Code.:
DSSTox Substance ID:DTXSID90167131
Nikkaji Number:J625.729A
Wikidata:Q83036445
Mol file:161373-45-1.mol

Synonyms:161373-45-1;4-amino-8-fluorocinnoline-3-carboxylic acid;3-Cinnolinecarboxylic acid, 4-amino-8-fluoro-, hydrate;4-Amino-8-fluoro-3-cinnolinecarboxylic acid hydrate;DTXSID90167131;LS-54278;8-Fluoro-4-aminocinnoline-3-carboxylic acid

Suppliers and Price of 3-Cinnolinecarboxylic acid, 4-amino-8-fluoro-, hydrate

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

AccelPharmtech
4-amino-8-fluoro-3-Cinnolinecarboxylicacid 97.00%
5G
$ 2750.00

AccelPharmtech
4-amino-8-fluoro-3-Cinnolinecarboxylicacid 97.00%
1G
$ 2370.00

Total 2 raw suppliers

Chemical Property of 3-Cinnolinecarboxylic acid, 4-amino-8-fluoro-, hydrate

Chemical Property:

Vapor Pressure:0.0133mmHg at 25°C
Boiling Point:247.8°Cat760mmHg
PKA:3.96±0.10(Predicted)
Flash Point:103.7°C
PSA：89.10000
Density:1.605g/cm³
LogP:1.63050
XLogP3:1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:207.04440460
Heavy Atom Count:15
Complexity:264

Purity/Quality:

99%+ ^*data from raw suppliers

4-amino-8-fluoro-3-Cinnolinecarboxylicacid 97.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC2=C(C(=NN=C2C(=C1)F)C(=O)O)N

Technology Process of 3-Cinnolinecarboxylic acid, 4-amino-8-fluoro-, hydrate

There total 3 articles about 3-Cinnolinecarboxylic acid, 4-amino-8-fluoro-, hydrate 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: 72.1%

: 161373-31-5
4-Amino-8-fluoro-cinnoline-3-carboxylic acid amide

: 161373-45-1
4-Amino-8-fluoro-cinnoline-3-carboxylic acid

Guidance literature:: With sulfuric acid; at 80 - 100 ℃;

Reference yield:

: 348-54-9
2-Fluoroaniline

: 161373-45-1
4-Amino-8-fluoro-cinnoline-3-carboxylic acid

Guidance literature:: Multi-step reaction with 3 steps

2: 93.6 percent / AlCl₃ / chlorobenzene / 1 h / 100 - 110 °C

3: 72.1 percent / 80percent aq. H₂SO₄ / 80 - 100 °C

With aluminium trichloride; sulfuric acid; In chlorobenzene;

Reference yield:

: 161373-24-6
2-Cyano-2-[(2-fluoro-phenyl)-hydrazono]-acetamide

: 161373-45-1
4-Amino-8-fluoro-cinnoline-3-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 93.6 percent / AlCl₃ / chlorobenzene / 1 h / 100 - 110 °C

2: 72.1 percent / 80percent aq. H₂SO₄ / 80 - 100 °C

With aluminium trichloride; sulfuric acid; In chlorobenzene;