1,3-Dimethyl-1,3-diphenylurea
Basic information
- CAS
611-92-7- Standard SMILES
CN(C(=O)N(C)c1ccccc1)c1ccccc1- InChIKey
ADCBKYIHQQCFHE-UHFFFAOYSA-N- Molecular formula
- C15H16N2O
- Average molar mass
- 240.3 g/mol
- Monoisotopic mass
- 240.12626314
Names & identifiers
- Preferred name
- 1,3-Dimethyl-1,3-diphenylurea
- IUPAC
- 1,3-dimethyl-1,3-diphenylurea
- English name
- 1,3-Dimethyl-1,3-diphenylurea
- Molecular formula
- C15H16N2O
- Molecular weight
- 240.3
Names & synonyms
1,3-Dimethyl-1,3-diphenylurea611-92-7Centralite IIN,N'-Dimethyl-N,N'-diphenylureaMethyl centraliteCentralit IICentralite-2Urea, N,N'-dimethyl-N,N'-diphenyl-N,N'-DimethylcarbanilideCarbanilide, N,N'-dimethyl-Zentralit IINSC 59781
Show more names
ZentralinZentralit ICentralite llDimethyldiphenylurea
N,N'-Dimethyl carbanilideEN824LB0NYDIMETHYLCARBANILIDEUNII-EN824LB0NYEINECS 210-283-4NSC-59781BRN 2126077DTXSID3044964
Database identifiers
- CAS
611-92-7- PubChem CID
- 11917
- DTXSID
DTXSID3044964- ChEMBL
CHEMBL3827384- UNII
- EN824LB0NY
- EC Number
- 210-283-4
- Nikkaji
- J13.679D
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 242
Experimental & physicochemical properties
SpringerMaterials PropertiesDiamagnetic susceptibility
Physical DescriptionCBI
Physicochemical properties
- Melting point
- 120 · 120-122 °C(lit.)
- Boiling point
- 383.02 °C · 383.02°C (rough estimate)
- Density
- 1.0611 · 1.0611 (rough estimate)
- vapor pressure
- 0.001 Pa · 0.001Pa at 25℃
- refractive index
- 1.639 · 1.6390 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- Dichloromethane (Slightly), DMSO (Slightly), Methanol (Very Slightly)
- form
- Solid
- pka
- 0.68 · 0.68±0.50(Predicted)
- color
- White to Pale Green
- Water Solubility
- 76.42 mg/L · 76.42mg/L at 20℃
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P273, P301+P316, P301+P317, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Urea, N,N'-dimethyl-N,N'-diphenyl-
Urea, N,N'-dimethyl-N,N'-diphenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Urea, N,N'-dimethyl-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: 1,3-dimethyl-1,3-diphenylurea (EC: 210-283-4)
Hazard Classes and CategoriesAcute Tox. 3 (33.3%)
Safety data
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- FE0600000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Hazard statements
- H302-H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
U.S. Production2023: <75,000 lb
Industry UsesOther
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
Urea, N,N'-dimethyl-N,N'-diphenyl-: ACTIVE
Applications
UsesDetection of Methyl Centralite (MC) as gunshot residues (GSR) has been developed.
Description1,3-Dimethyl-1,3-diphenylurea for Stabilizer and propellant, and production of intermediates of organic chemicals.
Uses1,3-Dimethyl-1,3-diphenylurea (methyl centralite) is a stabilizer in different types of ammunition. This compound is organic gunshot residue. It is the characteristic compound for which forensic analysts test determining if a person has discharged a firearm[1-2].
Preparation methods
Preparation1,3-Dimethyl-1,3-diphenylurea can be synthesized through the reaction of methylaniline and phosgene.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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