1,3-Bis(4-nitrophenyl)urea - CAS 587-90-6
Catalog: |
BB030164 |
Product Name: |
1,3-Bis(4-nitrophenyl)urea |
CAS: |
587-90-6 |
Synonyms: |
1,3-bis(4-nitrophenyl)urea |
IUPAC Name: | 1,3-bis(4-nitrophenyl)urea |
Description: | An impurity of Nicarbazin. |
Molecular Weight: | 302.24 |
Molecular Formula: | C13H10N4O5 |
Canonical SMILES: | C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
InChI: | InChI=1S/C13H10N4O5/c18-13(14-9-1-5-11(6-2-9)16(19)20)15-10-3-7-12(8-4-10)17(21)22/h1-8H,(H2,14,15,18) |
InChI Key: | JEZZOKXIXNSKQD-UHFFFAOYSA-N |
Boiling Point: | 414.8 ℃ at 760 mmHg |
Melting Point: | >250 ℃ (dec.) |
Purity: | 97 % |
Density: | 1.561 g/cm3 |
Appearance: | Yellow solid |
MDL: | MFCD00024602 |
LogP: | 4.33940 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111116420-A | Preparation method of symmetrical urea compound | 20191231 |
CN-110878035-A | Method for preparing symmetrical urea compound | 20180906 |
CN-110878035-B | Method for preparing symmetrical urea compound | 20180906 |
US-2021317407-A1 | Methods and compositions for stimulation of chimeric antigen receptor t cells with hapten labelled cells | 20180806 |
US-10532939-B2 | Composite, a method of making thereof, and a method for degrading a pollutant | 20170419 |
PMID | Publication Date | Title | Journal |
22850895 | 20120901 | Development of a five-plex flow cytometric immunoassay for the simultaneous detection of six coccidiostats in feed and eggs | Analytical and bioanalytical chemistry |
22912452 | 20120901 | Effects of nicarbazin on the blood glucose and liver glycogen statuses of male broilers | Poultry science |
22970563 | 20120701 | Determination of narasin and monensin in bovine, swine, and chicken tissues by liquid chromatography with tandem mass spectrometry: first action 2011.24 | Journal of AOAC International |
21984012 | 20111201 | Development and validation of an UPLC-MS/MS method for the determination of ionophoric and synthetic coccidiostats in vegetables | Analytical and bioanalytical chemistry |
21827979 | 20111101 | Lower prevalence of antibiotic-resistant Enterococci on U.S. conventional poultry farms that transitioned to organic practices | Environmental health perspectives |
Complexity: | 379 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 302.06511943 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 302.06511943 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 133 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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