Pyrrolnitrin

Base Information

Chemical Name:Pyrrolnitrin
CAS No.:1018-71-9
Molecular Formula:C10H6 Cl2 N2 O2
Molecular Weight:257.076
Hs Code.:2933990090
European Community (EC) Number:213-812-7
NSC Number:637277,107654
UNII:N0P24B6EDQ
DSSTox Substance ID:DTXSID9046867
Nikkaji Number:J7.221D
Wikipedia:Pyrrolnitrin
Wikidata:Q371817
NCI Thesaurus Code:C81509
Metabolomics Workbench ID:67631
ChEMBL ID:CHEMBL97972
Mol file:1018-71-9.mol

Synonyms:Pyrrolnitrin

Suppliers and Price of Pyrrolnitrin

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

American Custom Chemicals Corporation
PYRROLNITRIN 95.00%
1MG
$ 994.68

Total 63 raw suppliers

Chemical Property of Pyrrolnitrin

Chemical Property:

Vapor Pressure:1.42E-06mmHg at 25°C
Melting Point:124.5°
Refractive Index:1.6100 (estimate)
Boiling Point:410.5°Cat760mmHg
PKA:14.28±0.50(Predicted)
Flash Point:202.1°C
PSA：61.61000
Density:1.523g/cm³
LogP:4.41990
XLogP3:4.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:255.9806328
Heavy Atom Count:16
Complexity:272

Purity/Quality:

99% ^*data from raw suppliers

PYRROLNITRIN 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])C2=CNC=C2Cl
Uses Antifungal. Pyrrolnitrin from Pseudomonas cepacia has been used as a standard in the detection of pyrrolnitrin in Serratia marcescens cell culture extract.

Technology Process of Pyrrolnitrin

There total 4 articles about Pyrrolnitrin 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: 74.0%

: 1126425-93-1
3-chloro-4-(3'-chloro-2'-nitrophenyl)-N-(TIPS)pyrrole

: 1018-71-9
pyrrolnitrin

Guidance literature:: With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 20 ℃; Darkness;
DOI:10.1021/ol8026957

Reference yield:

: 16386-65-5
4-(3'-chloro-2'-aminophenyl)-3-chloropyrrole

: 1018-71-9
pyrrolnitrin

Guidance literature:: With chloroperoxidase CPO-P; NaOAc-buffer; dihydrogen peroxide; In water; at 30 ℃; for 6h;

Reference yield:

: 153-97-9
7-chloro-D/L-tryptophan

: 1018-71-9
pyrrolnitrin

Guidance literature:: With Na⁽³⁶⁾Cl; cells of Pseudomonas aureofaciens in glycerinic minimal medium; at 30 ℃; for 120h; measurement of radioactivity;