Basic information
- CAS
26763-63-3- Standard SMILES
NC(=O)N(c1ccccc1)c1ccccc1- InChIKey
XKAFKUGMXFMRCC-UHFFFAOYSA-N- Molecular formula
- C13H12N2O
- Average molar mass
- 212.25 g/mol
- Monoisotopic mass
- 212.094963
Overview
Asym-diphenylurea appears as needles or white crystals. (NTP, 1992)
Names & identifiers
- Preferred name
- 1,1-Diphenylurea
- IUPAC
- 1,1-diphenylurea
- English name
- 1,1-diphenylurea
- Molecular formula
- C13H12N2O
- Molecular weight
- 212.25
Names & synonyms
Show more names
Database identifiers
- CAS
26763-63-3、603-54-3- PubChem CID
- 33603
- DTXSID
DTXSID7025184- ChEMBL
CHEMBL169502- UNII
- H33D27I551
- EC Number
- 210-048-6
- Nikkaji
- J6.809H
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 212
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- 189 °C · 189°C
- Boiling point
- 352.09 °C · 352.09°C (rough estimate)
- Density
- 1.276 · 1.2760
- refractive index
- 1.692 · 1.6920 (estimate)
- pka
- 15.11 · 15.11±0.50(Predicted)
- Stability
- Stable. Combustible. Incompatible with strong oxidizing agents.
- FDA UNII
- 33 D27I551 · H33D27I551
- EPA Substance Registry System
- 1 · 1,1-Diphenylurea (603-54-3)
- TSCA
- TSCA listed
Safety & regulation
Hazard information
Reactivity Profile
ASYM-DIPHENYLUREA is an amide. Amides/imides react with azo and diazo compounds to generate toxic gases. Flammable gases are formed by the reaction of organic amides/imides with strong reducing agents. Amides are very weak bases (weaker than water). Imides are less basic yet and in fact react with strong bases to form salts. That is, they can react as acids. Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. The combustion of these compounds generates mixed oxides of nitrogen (NOx).
Safety & protection
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
Applications
General DescriptionNeedles or white crystals.
Upstream & downstream products
Upstream raw materials
Suppliers4 total
Related reactions
Compound notes
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