Name | Diphenylcarbamide |
Synonyms | acardite carbanilide diphenylurea 3-diphenylurea 1,1-diphenylurea 1,3-Diphenylurea sym-Diphenylurea Diphenylcarbamide N,N'-diphenylurea |
CAS | 102-07-8 |
EINECS | 203-003-7 |
InChI | InChI=1/C13H12N2O/c14-13(16)15(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,14,16) |
InChIKey | GWEHVDNNLFDJLR-UHFFFAOYSA-N |
Molecular Formula | (C6H5NH)2CO |
Molar Mass | 212.25 |
Density | 1.214g/cm3 |
Melting Point | 239-241℃ |
Boling Point | 358.7°C at 760 mmHg |
Flash Point | 170.7°C |
Water Solubility | 150.3mg/L(temperature not stated) |
Vapor Presure | 2.5E-05mmHg at 25°C |
Appearance | Shape Crystalline Powder, color White |
pKa | 14.15±0.70(Predicted) |
Storage Condition | Sealed in dry,Room Temperature |
Stability | Stable. Incompatible with strong oxidizing agents. |
Refractive Index | 1.651 |
MDL | MFCD00003017 |
Physical and Chemical Properties | colorless prisms crystals. The melting point of 239-240 deg C, boiling point of 260 deg C, the relative density of 1.239. Soluble in acetic acid, ether, pyridine-soluble, very slightly soluble in water, alcohol, acetone and chloroform. |
Use | It is mainly used as an intermediate of sulfanilamide, and its chlorosulfonated product can be used as the main raw material of sulfamethoxazole |
Risk Codes | R22 - Harmful if swallowed |
Safety Description | S22 - Do not breathe dust. S24/25 - Avoid contact with skin and eyes. |
UN IDs | 2811 |
WGK Germany | 3 |
RTECS | FD9800000 |
TSCA | Yes |
HS Code | 29242100 |
Hazard Class | 6.1(b) |
Packing Group | III |
Raw Materials | Dichloromethane Aniline Phenyl isocyanate |
Downstream Products | Nicarbazin N-BOC ANILINE 1,2,3-TRIPHENYLGUANIDINE Quinazoline |
Solubility | pyridine: soluble50mg/mL, clear to very slightly hazy, colorless to faintly yellow |
Merck | 14,1785 |
BRN | 782650 |
NIST chemical information | Urea, N,N'-diphenyl-(102-07-8) |
EPA chemical information | Carbanilide (102-07-8) |
Introduction
1, 3-diphenylurea is a urea compound. Urea refers to a compound containing R1R2N-CO-NR1R2 functional groups, which is the first type of organic compound synthesized artificially.
method of synthesis
1, 3-diphenylurea was synthesized from N-cyclohexanoyloxybenzamide: [RuCl2(p-cymene)]2(0.005),N-cyclohexanoyloxybenzamide (0.2mol), silver acetate (AgOAc)(0.4mol) and dioxane solvent (dioxane)(1mL) were sequentially added to a dry reaction tube at room temperature and under empty atmosphere, then the temperature was raised to 80 ℃ for 12 hours, and the product was separated by column chromatography after the reaction, with a yield of 94%.
Production method
It is obtained by condensation of aniline and urea.
category
Toxic substances
Toxicity classification
Poisoning
Acute toxicity
oral administration-rat LDL0: 500 mg/kg; Abdominal cavity-mouse LD50: 200 mg/kg
flammability hazard characteristics
Thermal decomposition discharges toxic nitrogen oxide smoke
storage and transportation features
Warehouse low temperature ventilation and drying
Fire extinguishing agent
Water, carbon dioxide, foam, dry powder
toxic substance data | 102-07-8(Hazardous Substances Data) |