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HCID 7595Erstellt: 25. Oktober 2026

1,3-Diphenylharnstoff

Diphenylurea · N,N-DIPHENYLUREA · CARBANILIDE · 1,3-DIPHENYLUREA · N,N'-Diphenylurea · Centralite · PROXIMPHAM · Zeonet U

https://huagongshe.com/de/chemical/7595

Molekülstruktur von 1,3-Diphenylharnstoff

Identifikatoren & physikalische Daten

CAS No.102-07-8
SummenformelC13H12N2O
Durchschnittliche Molmasse212,25 g/mol
Monoisotopische Masse212,094963 g/mol
SMILESO=C(Nc1ccccc1)Nc1ccccc1
InChIKeyGWEHVDNNLFDJLR-UHFFFAOYSA-N
PubChem CID7595
ChEMBLCHEMBL354676
ChEBICHEBI:41320
EC No.203-003-7
DTXSIDDTXSID2025183
Lokaler Name1,3-Diphenylharnstoff

Chemische & physikalische Eigenschaften

XLogP3
Polarare Oberfläche (TPSA)41,1
H-Brücken-Donoren2
H-Brücken-Akzeptoren1
Frei drehbare Bindungen2
Schwere Atome16
Formalladung0
Komplexität196
StoffklassenNitrogen Compounds -> Urea CompoundsIndustrial compound
ArzneimittelPharmaceuticals -> Listed in ZINC15
SpringerMaterials PropertiesBoiling point
LogP (Verteilungskoeffizient)3.00
Dichte1.239 (NTP, 1992) - Denser than waterwill sink1,239 g/cm3
Color/FormRHOMBIC BIPYRAMIDAL PRISMS FROM ALCOHOLORTHORHOMBIC PRISMS FROM ALCOHOLCOLORLESS PRISMS
Löslichkeitless than 0.1 mg/mL at 64 °F (NTP, 1992)SPARINGLY SOL IN WATER (0.15 G/L)SAPRINGLY SOL IN ALCOHOL, ACETONE, CHLOROFORMMODERATELY SOL IN PYRIDINE (69.0 G/L).SOL IN ACETIC ACID, ETHERINSOL IN BENZENE0.15 mg/mLpyridine: soluble50mg/mL, clear to very slightly hazy, colorless to faintly yellow150.3mg/L(temperature not stated)
Siedepunkt504 °F at 760 mmHg (Decomposes) (NTP, 1992)260 °C (DECOMPOSE)262 °C(lit.)
Schmelzpunkt460 °F (NTP, 1992)238 °C239 - 240 °C239-241 °C(lit.)
Physical Description1,3-diphenylurea is an off-white powder. (NTP, 1992)Large CrystalsColorless solid[HSDB] Off-white powder[Alfa Aesar MSDS]
Other Experimental PropertiesSUBLIMES IN CURRENT OF HYDROGEN AT 220 °CUV: 5-361 (Organic Electronic Spectral Data, Phillips et al, John Wiley & Sons, New York) /Urea, 1,1-diphenyl/
Dampfdruck0-0Pa at 20-25℃
Brechungsindex1.6920 (estimate)
Flammpunkt260°C
LagerbedingungenSealed in dry,Room Temperature
AggregatzustandCrystalline Powder
pKa (Säurekonstante)14.15±0.70(Predicted)
FarbeWhite
Merck14,1785
BRN782650
StabilitätStable. Incompatible with strong oxidizing agents.
InChI1S/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)
InChIKeyGWEHVDNNLFDJLR-UHFFFAOYSA-N
SMILESO=C(Nc1ccccc1)Nc2ccccc2
LogP (Verteilungskoeffizient)2.97
CAS Datenbank102-07-8(CAS DataBase Reference)
NIST chemische InformationenUrea, N,N'-diphenyl-(102-07-8)
EPA chemische InformationenCarbanilide (102-07-8)

Sicherheit & Vorschriften

GHS-EinstufungThis chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.WarningH302 (80%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische InformationenUrea, N,N'-diphenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Urea, N,N'-diphenyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 26-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20899Urea, N,N'-diphenyl-: Does not have an individual approval but may be used under an appropriate group standard
BrandgefahrenFlash point data for this chemical are not available, but it is probably combustible. (NTP, 1992)
GesundheitsgefahrenACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes. (NTP, 1992)
GefahrenübersichtNo evidence of mutagenicity[HSDB] May cause irritation[Alfa Aesar MSDS]
Reaktive GruppeAmides and Imides
Reactivity Profile1,3-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 ReactionsInsoluble in water.
Hazard Classes and CategoriesAcute Tox. 4 (80%)
BrandbekämpfungFires involving this compound should be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
Erste HilfeEYES: 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.
Freisetung ohne BrandSMALL 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)
Non-Human Toxicity ExcerptsINCR IN FREQUENCY OF REVERSION FROM STREPTOMYCIN DEPENDENCE TO INDEPENDENCE IN STRAIN SD-4-73 OF ESCHERICHIA COLI WAS UTILIZED TO MEASURE MUTAGENICITY OF CHEMICALS. CARBANILIDE WAS NONMUTAGENIC.
Wassergefährdungsklasse (WGK)3
TSCA-Inventar-StatusTSCA listed
Zollcode29242100
RTECS-Nr.FD9800000
Toxizitätmouse,LD50,intraperitoneal,200mg/kg (200mg/kg),National Technical Information Service. Vol. AD277-689,
Sicherheitshinweise (S)22-24/25
Lagerklasse11 - Combustible Solids
Gefahrstoffdaten102-07-8(Hazardous Substances Data)