Basic information
- CAS
603-52-1- Standard SMILES
CCOC(=O)N(c1ccccc1)c1ccccc1- InChIKey
HKTSLDUAGCAISP-UHFFFAOYSA-N- Molecular formula
- C15H15NO2
- Average molar mass
- 241.28 g/mol
- Monoisotopic mass
- 241.11027872
Names & identifiers
- Preferred name
- Ethyl diphenylcarbamate
- IUPAC
- ethyl N,N-diphenylcarbamate
- English name
- DIPHENYLURETHANE
- Molecular formula
- C15H15NO2
- Molecular weight
- 241.29
Names & synonyms
Ethyl diphenylcarbamate603-52-1Ethyl N,N-diphenylcarbamateN,N-DiphenylurethaneDiphenylcarbamic acid, ethyl esterCarbamic acid, diphenyl-, ethyl esterEINECS 210-047-0N,N-Diphenylethyl carbamateAI3-03281DTXSID80209054NSC 3568N,N-Diphenyl carbamic acid, ethyl ester
Show more names
N,N-Diphenylurethane,99%Ethyl diphenylcarbamate 99%DIPHENYLURETHANE ISO 9001：2015 REACH
RefChem:138922DTXCID00131545210-047-0HKTSLDUAGCAISP-UHFFFAOYSA-NDiphenylurethaneMFCD00026818N,N-Diphenylcarbamic acid-ethyl esterdiphenylurethan
Database identifiers
- CAS
603-52-1- PubChem CID
- 69050
- DTXSID
DTXSID80209054- EC Number
- 210-047-0
- Nikkaji
- J136.485E
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Melting point
- 70 · 70-72 °C(lit.)
- Boiling point
- 384.06 °C · 384.06°C (rough estimate)
- Density
- 1.0944 · 1.0944 (rough estimate)
- vapor pressure
- 0.002 Pa · 0.002Pa at 25℃
- refractive index
- 1.52 · 1.5200 (estimate)
- pka
- -2.99 · -2.99±0.50(Predicted)
- Water Solubility
- 25.9 mg/L · 25.9mg/L at 20℃
- InChI
- 1S/C15H15NO2/c1-2-18-15(17)16(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3
- InChIKey
- HKTSLDUAGCAISP-UHFFFAOYSA-N
- SMILES
- CCOC(=O)N(c1ccccc1)c2ccccc2
- LogP
- 3.33 at · 3.33 at 20℃
- CAS DataBase Reference
- 603 · 603-52-1(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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
Warning
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, 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 InformationREACH registered substance: Ethyl diphenylcarbamate (EC: 210-047-0)
Hazard Classes and CategoriesAcute Tox. 4 (33.3%)
Safety data
- wgk
- 3
- hs_code
- 2924297099
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 13 - Non Combustible Solids
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P280-P261
Chemistry & industry
Applications
UsesEthyl diphenylcarbamate is an N-substituted ethyl carbamate and its mass spectra has been studied. The elimination kinetics of ethyl diphenylcarbamate was investigated over the temperature range of 349.9-440.0°C and the pressure range of 31-106Torr. Reaction was found to be homogeneous, unimolecular, and obey a first-order rate law. The products of the reaction were ethylene, carbon monoxide and the corresponding secondary amine.
General DescriptionEthyl diphenylcarbamate is an N-substituted ethyl carbamate and its mass spectra has been studied. The elimination kinetics of ethyl diphenylcarbamate was investigated over the temperature range of 349.9-440.0°C and the pressure range of 31-106Torr. Reaction was found to be homogeneous, unimolecular, and obey a first-order rate law. The products of the reaction were ethylene, carbon monoxide and the corresponding secondary amine.
Upstream & downstream products
Downstream products
Suppliers22 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
玺标（上海）科技有限公司18512111473 18512111473 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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