Basic information
- CAS
20940-42-5- Standard SMILES
CNC(=O)Nc1cccc(Cl)c1- InChIKey
MIRQKFUBAFNLEI-UHFFFAOYSA-N- Molecular formula
- C8H9ClN2O
- Average molar mass
- 184.62 g/mol
- Monoisotopic mass
- 184.0403406
Names & identifiers
- Preferred name
- N-(3-chlorophenyl)-N'-methylurea
- IUPAC
- 1-(3-chlorophenyl)-3-methylurea
- English name
- 3-Chlorobenzylurea
- Molecular formula
- C8H9ClN2O
- Molecular weight
- 184.62
Names & synonyms
1-(3-chlorophenyl)-3-methylurea20940-42-5N-(3-CHLOROPHENYL)-N'-METHYLUREADTXSID70175113RefChem:826479DTXCID1097604665-664-1SCHEMBL8830833MIRQKFUBAFNLEI-UHFFFAOYSA-NN-Methyl-N'-(3-chlorophenyl)urea3-(3,4-chlorophenyl)-1-methylureaAKOS002956263
Show more names
Urea, N-(3-chlorophenyl)-N'-methyl-
Database identifiers
- CAS
20940-42-5- PubChem CID
- 30384
- DTXSID
DTXSID70175113- EC Number
- 665-664-1
- Nikkaji
- J590.535D
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
Experimental & physicochemical properties
LogP2.18
Physicochemical properties
- 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
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
Related reactions
1 records
Compound notes
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