3-Methyl-1,1-diphenylharnstoff

N-Methyl-N',N'-diphenylurea

HCID 25711CAS 13114-72-2

Grundinformationen

Standard-SMILES
CNC(=O)N(c1ccccc1)c1ccccc1
InChIKey
IMFYAZJNDOZIFV-UHFFFAOYSA-N
Summenformel
C14H14N2O
Durchschnittliche Molmasse
226,27 g/mol
Monoisotopische Masse
226,11061307

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'-methylurea3-methyl-1,1-diphenyl-ureaACARDITE IIMFCD000437223-Methyl-d3-1,1-diphenylureaUNII-NR12XN9HWN

Datenbank-Bezeichner

CAS
13114-72-2
PubChem CID
25711
DTXSID
DTXSID8025593
ChEMBL
CHEMBL1386499
ChEBI
CHEBI:195011
UNII
NR12XN9HWN
EC Number
236-039-7
Nikkaji
J317.814E

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

Experimentelle und physikochemische Eigenschaften

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 · 2 Einträge

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

GHS-Klassifizierung

GHS Classification · 6 Einträge

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.;Reported as not meeting GHS hazard criteria per 3 of 44 reports by companies.;There are 3 notifications provided by 41 of 44 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory Information · 2 Einträge

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)

Status: Active Update: 13-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21610

Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Reactive GroupAmides and Imides;Amines, Aromatic
Reactivity Profile · 1 Eintrag

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.
Hazard Classes and CategoriesEye Irrit. 2 (88.6%)

Sicherheit und Schutzausrüstung

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

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.;SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.;INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing.;INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)

Nonfire Spill Response · 1 Eintrag

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol 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.;STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)

Personal Protective Equipment (PPE) · 1 Eintrag

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)

Regulatorische Informationen

Regulatory Information · 2 Einträge

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)

Status: Active Update: 13-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21610

Sicherheitsdaten

wgk
3
tsca
TSCA listed
hs_code
2924210000
safety_code
36/37
Speicherklasse
11 - Combustible Solids
Hazard Classifications
Acute Tox. 4 OralAquatic Chronic 3STOT RE 2 Oral

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: <50,000 lb;2022: <50,000 lb;2021: <50,000 lb;2020: <50,000 lb
Industry UsesStabilizing agent
General Manufacturing Information · 2 Einträge

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.

Anbieter50 Anbieter

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