N'-(3-Chlorophenyl)-N,N-dimethylurea
Basic information
- CAS
587-34-8- Standard SMILES
CN(C)C(=O)Nc1cccc(Cl)c1- InChIKey
QLQDWOFJALEHSP-UHFFFAOYSA-N- Molecular formula
- C9H11ClN2O
- Average molar mass
- 198.65 g/mol
- Monoisotopic mass
- 198.0559907
Names & identifiers
- Preferred name
- N'-(3-Chlorophenyl)-N,N-dimethylurea
- IUPAC
- 3-(3-chlorophenyl)-1,1-dimethylurea
- English name
- 1-(m-chlorophenyl)-3,3-dimethyl-ure
- Molecular formula
- C9H11ClN2O
- Molecular weight
- 198.65
Names & synonyms
3-(3-Chlorophenyl)-1,1-dimethylurea587-34-8N'-(3-CHLOROPHENYL)-N,N-DIMETHYLUREA1-(3-Chlorophenyl)-3,3-dimethylureaUrea, N'-(3-chlorophenyl)-N,N-dimethyl-1-(m-Chlorophenyl)-3,3-dimethylureaUNII-636VOA73L3BRN 2210814AI3-61360636VOA73L3DTXSID2074667C-2034
Show more names
1-(m-chlorophenyl)-3,3-dimethyl-ure1-(m-chlorophenyl)-3,3-dimethyl-Urea
4-12-00-01151 (Beilstein Handbook Reference)N-(M-CHLOROPHENYL)-N',N'-DIMETHYLUREARefChem:160559DTXCID5042459Urea, N'-(3-chlorophenyl)-N,N-dimethyl-(9CI)QLQDWOFJALEHSP-UHFFFAOYSA-NC 2034N,N-Dimethyl-N'-(3-chlorophenyl)-urea
Database identifiers
- CAS
587-34-8- PubChem CID
- 11480
- DTXSID
DTXSID2074667- ChEMBL
CHEMBL2271012- UNII
- 636VOA73L3
- EC Number
- 622-173-7
- Nikkaji
- J87.594E
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 184
Experimental & physicochemical properties
LogP2.01
Physicochemical properties
- Melting point
- 1.8 · 1.8-144.3 °C
- Boiling point
- 356.8 · 356.8±34.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- storage temp.
- Room Temperature
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 14.42 · 14.42±0.70(Predicted)
- color
- White to Off-White
- FDA UNII
- 636 VOA73L3 · 636VOA73L3
- EPA Substance Registry System
- Urea, N'-(3-chlorophenyl)-N,N-dimethyl- (587-34-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317
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
This chemical does not meet GHS hazard criteria for 48.7% (37 of 76) of reports.
Warning
H302 (51.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 76 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationCommission Regulation (EC) No 1490/2002
Hazard Classes and CategoriesAcute Tox. 4 (51.3%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H317
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Applications
Uses3-(3-Chlorophenyl)-1,1-dimethylurea has been to study, the quantitative structure-activity relations of substituted phenylureas on the Hill inhibitory activity; Simple and rapid screening method for photosystem II inhibitory herbicides using photoautotrophically cultured plant cells with chlorophyll fluorescence monitoring.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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