1-Butyl-3-(2,6-dichlorophenyl)-1-methylurea
Basic information
- CAS
60006-12-4- Standard SMILES
CCCCN(C)C(=O)Nc1c(Cl)cccc1Cl- InChIKey
IKLJHMAVKLAUDB-UHFFFAOYSA-N- Molecular formula
- C12H16Cl2N2O
- Average molar mass
- 275.17 g/mol
- Monoisotopic mass
- 274.0639685
Names & identifiers
- Preferred name
- 1-Butyl-3-(2,6-dichlorophenyl)-1-methylurea
- IUPAC
- 1-butyl-3-(2,6-dichlorophenyl)-1-methylurea
- English name
- 1-Butyl-3-(2,6-dichlorophenyl)-1-methylurea
- Molecular formula
- C12H16Cl2N2O
- Molecular weight
- 275.17
Names & synonyms
1-butyl-3-(2,6-dichlorophenyl)-1-methylureaRefChem:43102260006-12-4665-908-7AKOS024334705N-butyl-N'-(2,6-dichlorophenyl)-N-methylureaUrea, N-butyl-N'-(2,6-dichlorophenyl)-N-methyl-
Database identifiers
- CAS
60006-12-4- PubChem CID
- 4069713
- EC Number
- 665-908-7
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Boiling point
- 408.2 · 408.2±45.0 °C(Predicted)
- Density
- 1.252 · 1.252±0.06 g/cm3(Predicted)
- pka
- 13.23 · 13.23±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Suppliers
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Related reactions
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Compound notes
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