1-(2-Chlorophenyl)-3-propylurea
Basic information
- CAS
13257-10-8- Standard SMILES
CCCNC(=O)Nc1ccccc1Cl- InChIKey
GQBSGNIQFNLAGT-UHFFFAOYSA-N- Molecular formula
- C10H13ClN2O
- Average molar mass
- 212.67 g/mol
- Monoisotopic mass
- 212.0716407
Names & identifiers
- Preferred name
- 1-(2-Chlorophenyl)-3-propylurea
- IUPAC
- 1-(2-chlorophenyl)-3-propylurea
- English name
- 1-(2-Chlorophenyl)-3-propylurea
- Molecular formula
- C10H13ClN2O
- Molecular weight
- 212.68
Names & synonyms
1-(2-chlorophenyl)-3-propylureaRefChem:42188713257-10-8666-903-2AKOS002937956Urea, N-(2-chlorophenyl)-N'-propyl-
Database identifiers
- CAS
13257-10-8- PubChem CID
- 4171802
- EC Number
- 666-903-2
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- Boiling point
- 293.5 · 293.5±32.0 °C(Predicted)
- Density
- 1.206 · 1.206±0.06 g/cm3(Predicted)
- pka
- 13.9 · 13.90±0.46(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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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