Basic information
- CAS
22175-22-0- Standard SMILES
CNC(=O)Nc1ccc(C)c(Cl)c1- InChIKey
GUMFWXBSFOHZDC-UHFFFAOYSA-N- Molecular formula
- C9H11ClN2O
- Average molar mass
- 198.65 g/mol
- Monoisotopic mass
- 198.0559907
Overview
3-(3-chloro-4-methylphenyl)-1-methylurea is an a 1-methyl-3-phenylurea.
Names & identifiers
- Preferred name
- 1-(3-Chloro-4-methylphenyl)-3-methylurea
- IUPAC
- 1-(3-chloro-4-methylphenyl)-3-methylurea
- English name
- 1-(3-Chloro-4-methylphenyl)-3-methylurea
- Molecular formula
- C9H11ClN2O
- Molecular weight
- 198.65
Names & synonyms
1-(3-chloro-4-methylphenyl)-3-methylureaRefChem:423571667-418-922175-22-0N-(3-CHLORO-4-METHYLPHENYL)-N'-METHYLUREAMFCD00089111NSC1643503-(3-chloro-4-methylphenyl)-1-methylurea1-(3-Chloro-4-methylphenyl)-3-methyl-urea1-(3-chloro-4-methyl-phenyl)-3-methyl-ureaUrea, N-(3-chloro-4-methylphenyl)-N'-methyl-chlortoluron metabolite
Show more names
Chlorotoluron-desmethyl 10 μg/ml AcetoneChlorotoluron-desmethyl 100 μg/ml AcetoneChlorotoluron-desmethyl 10 μg/ml Acetonitrile1-(3-Chloro-4-methylphenyl)-3-methyl-urea 100 μg/mL in Acetonitrile1-(3-Chloro-4-methylphenyl)-3-methylurea@100 μg/mL in Dichloromethane
Chlorotoluron-desmethylchlorotoluron-monodemethylMaybridge1_005663DivK1c_001951SCHEMBL11755742HMS557J09DTXSID20176711CHEBI:157701
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 186
Experimental & physicochemical properties
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
LogP2.61
Physicochemical properties
- Boiling point
- 280.1 · 280.1±40.0 °C(Predicted)
- Density
- 1.245 · 1.245±0.06 g/cm3(Predicted)
- pka
- 13.97 · 13.97±0.46(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 39 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
Uses & manufacturing
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Suppliers11 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
北京欣恒研科技有限公司010-56034419 13426091577 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
上海倍卓生物科技有限公司021-61119791,13386096464 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
Additional notes
Related reactions
1 records
Compound notes
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