1,1-Diphenylurea

HCID 33603

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

1,1-DiphenylureaDiphenyl ureaN,N-Diphenylurea603-54-3Urea, N,N-diphenyl-ASYM-DIPHENYLUREACCRIS 4635NSC 8715EINECS 210-048-6AI3-61314NSC-8715H33D27I551
Show more names
DIPHENYLUREA, 1,1-DTXSID7025184ACARDIT IAKARDIT IAKARDITE IRefChem:410322UNSYM-DIPHENYLCARBAMIDEDTXCID705184

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

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point
Density1.276 (NTP, 1992) - Denser than water; will sink
Solubilityless than 1 mg/mL at 72 °F (NTP, 1992)
Boiling PointDecomposes (NTP, 1992)
Melting Point372 °F (NTP, 1992)
Physical DescriptionAsym-diphenylurea appears as needles or white crystals. (NTP, 1992)

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.

Safety & regulation

Hazard information

Fire HazardsFlash point data for this compound are not available, but it is probably combustible. (NTP, 1992)
Reactive GroupAmides and Imides
Reactivity Profile · 1 item

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).

Air and Water ReactionsThis chemical may be sensitive to prolonged exposure to air or light. (NTP, 1992). Insoluble in water.

Safety & protection

Fire FightingFires involving this compound can be controlled using a dry chemical, carbon dioxide, or Halon extinguisher. (NTP, 1992)
First Aid · 1 item

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 · 1 item

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) · 1 item

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

General Manufacturing InformationUrea, N,N-diphenyl-: INACTIVE

Applications

General DescriptionNeedles or white crystals.

Upstream & downstream products

Suppliers4 total

杭州杰恒化工有限公司0571-87396432 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]

Related reactions

8 records

Compound notes

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