3-Methyl-1,1-diphenylharnstoff
N-Methyl-N',N'-diphenylurea
Grundinformationen
- CAS
13114-72-2- Standard-SMILES
CNC(=O)N(c1ccccc1)c1ccccc1- InChIKey
IMFYAZJNDOZIFV-UHFFFAOYSA-N- Summenformel
- C14H14N2O
- Durchschnittliche Molmasse
- 226,27 g/mol
- Monoisotopische Masse
- 226,11061307
Überblick
1-methyl-3,3-diphenylurea appears as needles or grayish-white powder. (NTP, 1992)
Namen und Bezeichner
- Bevorzugter Name
- N-Methyl-N',N'-diphenylurea
- IUPAC
- 3-methyl-1,1-diphenylurea
- Lokaler Name
- 3-Methyl-1,1-diphenylharnstoff
- Englischer Name
- 3-Methyl-1,1-diphenylurea
- Summenformel
- C14H14N2O
- Molmasse
- 226.27
Namen und Synonyme
3-Methyl-1,1-diphenylurea13114-72-2N'-METHYL-N,N-DIPHENYLUREAUrea, N'-methyl-N,N-diphenyl-N-methyl-N',N'-diphenylureaAkardite II1-Methyl-3,3-diphenylureaCCRIS 6059DTXSID8025593NR12XN9HWNEINECS 236-039-7DTXCID405593
Weitere Namen anzeigen
Akardit IIAcardit IIACARDITE-IIAkardite-IIMETHYL CARBANILIDETIMTEC-BB SBB008174Temozolomide USP RC B
METHYL-N,N-DIPHENYLUREA, N'-RefChem:830533N,N-Diphenyl-N'-methylureaMFCD000437223-methyl-1,1-diphenyl-ureaACARDITE II3-Methyl-d3-1,1-diphenylureaUNII-NR12XN9HWN
Datenbank-Bezeichner
- CAS
13114-72-2- PubChem CID
- 25711
- DTXSID
DTXSID8025593- ChEMBL
CHEMBL1386499- ChEBI
CHEBI:195011
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,5
- Polarare Oberfläche (TPSA)
- 32,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 225
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesChemical shift
Solubilityless than 1 mg/mL at 70 °F (NTP, 1992)
Boiling Point397 to 401 °F at 760 mmHg (decomposes) (NTP, 1992)
Melting Point339.6 to 342.5 °F (NTP, 1992)
Physical Description
1-methyl-3,3-diphenylurea appears as needles or grayish-white powder. (NTP, 1992)
Dry Powder
Physikochemische Eigenschaften
- Schmelzpunkt
- 172 · 172-174 °C (lit.)
- Siedepunkt
- 367.89 °C · 367.89°C (rough estimate)
- Dichte
- 1.0852 · 1.0852 (rough estimate)
- Dampfdruck
- 0 Pa · 0Pa at 20℃
- Brechungsindex
- 1.6419 · 1.6419 (estimate)
- storage temp.
- 2 · 2-8°C
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 6.8% (3 of 44) of reports.
Warning
H319 (88.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Urea, N'-methyl-N,N-diphenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Urea, N'-methyl-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)
REACH registered substance: 3-methyl-1,1-diphenylurea (EC: 236-039-7)
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Reactive GroupAmides and Imides
Reactivity Profile
1-METHYL-3,3-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.
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: <50,000 lb
Industry UsesStabilizing agent
General Manufacturing Information
Explosives Manufacturing
Urea, N'-methyl-N,N-diphenyl-: ACTIVE
Anwendungen
VerwendenN''-Methyl-N,N-diphenylurea is used in the stabilization of thermal propellants. Temozolomide USP Related Compound B.
Zugehörige Reaktionen
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