1,3-Diphenylurea - CAS 102-07-8
Catalog: |
BB000771 |
Product Name: |
1,3-Diphenylurea |
CAS: |
102-07-8 |
Synonyms: |
Urea, N,N'-diphenyl-; Carbanilide; N,N'-Diphenylurea; 1,3-Diphenylcarbamide; AD 30; DPU; N-Phenyl-N'-phenylurea; NSC 227401; NSC 8485; s-Diphenylurea; sym-Diphenylurea |
IUPAC Name: | 1,3-diphenylurea |
Description: | Intermediate in the preparation of α-adrenergic agonist, Phenylephrine. |
Molecular Weight: | 212.25 |
Molecular Formula: | C13H12N2O |
Canonical SMILES: | C1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2 |
InChI: | InChI=1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16) |
InChI Key: | GWEHVDNNLFDJLR-UHFFFAOYSA-N |
Boiling Point: | 262°C |
Melting Point: | 238°C |
Purity: | ≥95% |
Density: | 1.239 g/cm3 |
Solubility: | Soluble in Pyridine |
Appearance: | White Crystalline Powder |
Storage: | Store at RT |
MDL: | MFCD00003017 |
LogP: | 3.47660 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113480435-A | Method for aminolysis of tar residues and recovery of organic resources | 20210806 |
JP-2021152083-A | Pest control method | 20210702 |
JP-2021152084-A | Pest control method | 20210702 |
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PMID | Publication Date | Title | Journal |
23571415 | 20130601 | Structure-based identification of OATP1B1/3 inhibitors | Molecular pharmacology |
22907835 | 20121001 | Simultaneous determination of triclosan, triclocarban, and transformation products of triclocarban in aqueous samples using solid-phase micro-extraction-HPLC-MS/MS | Journal of separation science |
22580138 | 20120901 | Analysis of the infrared and Raman spectra of the symmetrically substituted 1,3-diphenylurea and 1,3-diphenylacetone (dibenzyl ketone) | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
22577890 | 20120601 | Regorafenib for cancer | Expert opinion on investigational drugs |
22105314 | 20120201 | Fate of triclosan and triclocarban in soil columns with and without biosolids surface application | Environmental toxicology and chemistry |
Complexity: | 196 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.094963011 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.094963011 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 41.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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