Basic information
- CAS
28170-32-3- Standard SMILES
CCCCN(C)C(=O)Nc1cccc(Cl)c1- InChIKey
ZARXGSLQERUNSR-UHFFFAOYSA-N- Molecular formula
- C12H17ClN2O
- Average molar mass
- 240.73 g/mol
- Monoisotopic mass
- 240.1029409
Names & identifiers
- Preferred name
- 1-Butyl-3-(3-chlorophenyl)-1-methylurea
- IUPAC
- 1-butyl-3-(3-chlorophenyl)-1-methylurea
- English name
- 1-Butyl-3-(3-chlorophenyl)-1-methylurea
- Molecular formula
- C12H17ClN2O
- Molecular weight
- 240.73
Names & synonyms
1-butyl-3-(3-chlorophenyl)-1-methylureaRefChem:43102928170-32-3666-956-1AKOS024334925N-butyl-N'-(3-chlorophenyl)-N-methylureaN-butyl-N'-(3-chloro-phenyl)-N-methyl-ureaUrea, N-butyl-N'-(3-chlorophenyl)-N-methyl-
Database identifiers
- CAS
28170-32-3- PubChem CID
- 3333146
- EC Number
- 666-956-1
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- 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
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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