5-Nitro-3-carboxybenzisoxazole

Base Information

Chemical Name:5-Nitro-3-carboxybenzisoxazole
CAS No.:28691-51-2
Molecular Formula:C8H4 N2 O5
Molecular Weight:208.13
Hs Code.:2934999090
DSSTox Substance ID:DTXSID00182850
Nikkaji Number:J1.382.567J,J598.436J
Wikidata:Q83053552
Mol file:28691-51-2.mol

Synonyms:5-nitro-3-carboxybenzisoxazole

Suppliers and Price of 5-Nitro-3-carboxybenzisoxazole

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

Crysdot
5-Nitrobenzo[d]isoxazole-3-carboxylicacid 97%
1g
$ 842.00

Total 4 raw suppliers

Chemical Property of 5-Nitro-3-carboxybenzisoxazole

Chemical Property:

Vapor Pressure:3.4E-10mmHg at 25°C
Melting Point:149-152 °C(Solv: benzene (71-43-2))
Boiling Point:484.4°Cat760mmHg
PKA:1.80±0.30(Predicted)
Flash Point:246.8°C
PSA：109.15000
Density:1.679g/cm³
LogP:1.95740
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:208.01202123
Heavy Atom Count:15
Complexity:289

Purity/Quality:

97% ^*data from raw suppliers

5-Nitrobenzo[d]isoxazole-3-carboxylicacid 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC2=C(C=C1[N+](=O)[O-])C(=NO2)C(=O)O

Technology Process of 5-Nitro-3-carboxybenzisoxazole

There total 4 articles about 5-Nitro-3-carboxybenzisoxazole 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:

: 57764-48-4
hydroxyimino-(2-nitro-phenyl)-acetic acid ethyl ester

: 28691-51-2
3-carboxy-5-nitro-1,2-benzisoxazole

Guidance literature:: Multi-step reaction with 3 steps

1: NaH / bis-(2-methoxy-ethyl) ether

2: H₂SO₄

3: HNO₃, H₂SO₄

With sulfuric acid; nitric acid; sodium hydride; In diethylene glycol dimethyl ether;
DOI:10.1021/ja00858a017

Reference yield:

: 28691-47-6
benzisoxazole-3-carboxylic acid

: 28691-51-2
3-carboxy-5-nitro-1,2-benzisoxazole

Guidance literature:: With sulfuric acid; nitric acid;
DOI:10.1021/ja00858a017

Reference yield:

: 57764-49-5
ethyl 1,2-benzisoxazole-3-carboxylate

: 28691-51-2
3-carboxy-5-nitro-1,2-benzisoxazole

Guidance literature:: Multi-step reaction with 2 steps

1: H₂SO₄

2: HNO₃, H₂SO₄

With sulfuric acid; nitric acid;
DOI:10.1021/ja00858a017