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13114-72-2

13114-72-2 Structure

13114-72-2 Structure
IdentificationMore
[Name]

3-METHYL-1,1-DIPHENYLUREA
[CAS]

13114-72-2
[Synonyms]

Acardit II
Akardit II
ACARDITE-II
Akardite II
Akardite-II
METHYL CARBANILIDE
TIMTEC-BB SBB008174
Temozolomide USP RC B
1-METHYL-3,3-DIPHENYLUREA
3-METHYL-1,1-DIPHENYLUREA
1,1-DIPHENYL-3-METHYL UREA
N,N-Diphenyl-N’-methylurea
N,N-Diphenyl-N'-methylurea
n’-methyl-n,n-diphenyl-ure
N'-METHYL-N,N-DIPHENYL UREA
Urea,N’-methylN,N-diphenyl-
Urea,N’-methyl-N,N-diphenyl-
N-METHYL-N',N'-DIPHENYL UREA
Urea, N'-methyl-N,N-diphenyl-
TeMozoloMide Related CoMpound B
3-Methyl-1,1-diphenylurea >=95.0%
Temozolomide USP Related Compound B
3-Methyl-1,1-diphenylurea
Temozolomide Related Compound B (15 mg) (3-methyl-1,1-diphenylurea)
[EINECS(EC#)]

236-039-7
[Molecular Formula]

C14H14N2O
[MDL Number]

MFCD00043722
[Molecular Weight]

226.27
[MOL File]

13114-72-2.mol
Chemical PropertiesBack Directory
[Melting point ]

172-174 °C (lit.)
[Boiling point ]

367.89°C (rough estimate)
[density ]

1.0852 (rough estimate)
[vapor pressure ]

0Pa at 20℃
[refractive index ]

1.6419 (estimate)
[storage temp. ]

2-8°C
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

14.83±0.46(Predicted)
[color ]

Off-White to Light Blue
[Water Solubility ]

234.8mg/L at 20℃
[InChI]

1S/C14H14N2O/c1-15-14(17)16(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H,15,17)
[InChIKey]

IMFYAZJNDOZIFV-UHFFFAOYSA-N
[SMILES]

CNC(=O)N(c1ccccc1)c2ccccc2
[LogP]

1.69 at 25℃
[CAS DataBase Reference]

13114-72-2(CAS DataBase Reference)
[EPA Substance Registry System]

N'-Methyl-N,N-diphenylurea (13114-72-2)
Safety DataBack Directory
[Safety Statements ]

S36/37:Wear suitable protective clothing and gloves .
[WGK Germany ]

3
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[HS Code ]

2924210000
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Aquatic Chronic 3
STOT RE 2 Oral
Hazard InformationBack Directory
[General Description]

Needles or grayish-white powder.
[Reactivity Profile]

1-METHYL-3,3-DIPHENYLUREA(13114-72-2) 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 & Water Reactions]

Insoluble in water.
[Fire Hazard]

Flash point data for this chemical are not available. 1-METHYL-3,3-DIPHENYLUREA is probably combustible.
[Uses]

N''-Methyl-N,N-diphenylurea is used in the stabilization of thermal propellants. Temozolomide USP Related Compound B.
[Definition]

ChEBI: N'-methyl-N,N-diphenylurea is a member of benzenes.
[Synthesis Reference(s)]

Tetrahedron Letters, 29, p. 651, 1988 DOI: 10.1016/S0040-4039(00)80173-2
[Flammability and Explosibility]

Notclassified
Spectrum DetailBack Directory
[Spectrum Detail]

3-METHYL-1,1-DIPHENYLUREA(13114-72-2)1HNMR
3-METHYL-1,1-DIPHENYLUREA(13114-72-2)IR
3-METHYL-1,1-DIPHENYLUREA(13114-72-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

13114-72-2(sigmaaldrich)
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