Basic information
- CAS
5352-88-5- Standard SMILES
CNC(=O)Nc1ccc(Cl)cc1- InChIKey
XOXCBXRQHPLFNA-UHFFFAOYSA-N- Molecular formula
- C8H9ClN2O
- Average molar mass
- 184.62 g/mol
- Monoisotopic mass
- 184.0403406
Overview
3-(4-chlorophenyl)-1-methylurea is an a 1-methyl-3-phenylurea.
Names & identifiers
- Preferred name
- Monomethylmonuron
- IUPAC
- 1-(4-chlorophenyl)-3-methylurea
- English name
- N-(4-Chlorophenyl)-N'-methylurea
- Molecular formula
- C8H9ClN2O
- Molecular weight
- 184.62
Names & synonyms
5352-88-5MonomethylmonuronRefChem:10898321-(4-chlorophenyl)-3-methylurea3-(4-Chlorophenyl)-1-methylureap-CPMUN-(4-Chlorophenyl)-N'-methylureaN-Methyl-N'-(4-chlorophenyl)ureaUrea, N-(4-chlorophenyl)-N'-methyl-1-(p-Chlorophenyl)-3-methylurea3-(p-Chlorophenyl)-1-methylureaN-(p-Chlorophenyl)-N'-methylurea
Show more names
Urea, 1-(p-chlorophenyl)-3-methyl-NSC 694303-(4-Chlorophenyl)methyl ureamonuron-monodemethylNSC69430MLS000536826SCHEMBL1196684SCHEMBL6984302
Database identifiers
- CAS
5352-88-5- PubChem CID
- 79309
- DTXSID
DTXSID20201734- ChEMBL
CHEMBL1568315- ChEBI
CHEBI:157703- EC Number
- 688-804-3
- Nikkaji
- J146.418C
Properties
Computed structural properties
- XLogP
- 1.7
- 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
- 155
Experimental & physicochemical properties
PesticidesPesticide degradation product
Physicochemical properties
- Melting point
- 200 °C · 200 °C
- Boiling point
- 265.3 · 265.3±32.0 °C(Predicted)
- Density
- 1.288 · 1.288±0.06 g/cm3(Predicted)
- pka
- 14.01 · 14.01±0.46(Predicted)
- EPA Substance Registry System
- Urea, N-(4-chlorophenyl)-N'-methyl- (5352-88-5)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501
- HS Code
- 2924210090 · 2924210090
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 7.3% (3 of 41) of reports.
Danger
H301 (92.7%): 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 41 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (92.7%)
Toxicology
USGS Health-Based Screening Levels for Evaluating Water-Quality
3-(4-chlorophenyl)-1-methyl urea
Pesticide degradation product
Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP
Safety data
- hs_code
- 2924210090
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Suppliers6 total
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
南通鑫奇胜生物科技有限公司13635551869 13690496888 · [email protected]
南京诺希生物科技有限公司025-85767923 18512596075 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
苏州西博利生物科技有限公司17326194005 · [email protected]
Additional notes
DefinitionChEBI: 3-(4-chlorophenyl)-1-methylurea is an a 1-methyl-3-phenylurea.
Related reactions
2 records
Compound notes
Loading…