Basic information
- CAS
15545-53-6- Standard SMILES
CCN(CC)C(=O)Nc1ccc(C)c(Cl)c1- InChIKey
NTXSMLYMIGVDRF-UHFFFAOYSA-N- Molecular formula
- C12H17ClN2O
- Average molar mass
- 240.73 g/mol
- Monoisotopic mass
- 240.1029409
Names & identifiers
- Preferred name
- 3-(3-Chloro-4-methylphenyl)-1,1-diethylurea
- IUPAC
- 3-(3-chloro-4-methylphenyl)-1,1-diethylurea
- English name
- 3-(3-Chloro-4-methylphenyl)-1,1-diethylurea
- Molecular formula
- C12H17ClN2O
- Molecular weight
- 240.73
Names & synonyms
15545-53-63-(3-chloro-4-methylphenyl)-1,1-diethylureaDTXSID00395120RefChem:274123DTXCID10345979666-706-1Urea, N'-(3-chloro-4-methylphenyl)-N,N-diethyl-F1318-0227SMSSF-0040319AKOS0022441053-(3-chloro-4-tolyl)-1,1-diethylureaST50548883
Show more names
VU0494310-1N'-(3-Chloro-4-methylphenyl)-N,N-diethylureaAB00008717-01(diethylamino)-N-(3-chloro-4-methylphenyl)carboxamideZ56259967
Database identifiers
- CAS
15545-53-6- PubChem CID
- 3692062
- DTXSID
DTXSID00395120- EC Number
- 666-706-1
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- Melting point
- 109 · 109-110 °C
- Boiling point
- 391.3 · 391.3±42.0 °C(Predicted)
- Density
- 1.16 · 1.160±0.06 g/cm3(Predicted)
- pka
- 14.43 · 14.43±0.70(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501
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 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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