N-(1,3-Benzodioxol-5-YL)-N'-(3-chlorophenyl)urea
Basic information
- CAS
444286-01-5- Standard SMILES
O=C(Nc1cccc(Cl)c1)Nc1ccc2c(c1)OCO2- InChIKey
WOQALLDWGMKWRR-UHFFFAOYSA-N- Molecular formula
- C14H11ClN2O3
- Average molar mass
- 290.7 g/mol
- Monoisotopic mass
- 290.0458199
Names & identifiers
- Preferred name
- N-(1,3-Benzodioxol-5-YL)-N'-(3-chlorophenyl)urea
- IUPAC
- 1-(1,3-benzodioxol-5-yl)-3-(3-chlorophenyl)urea
- English name
- 1-(1,3-benzodioxol-5-yl)-3-(3-chlorophenyl)urea
- Molecular formula
- C14H11ClN2O3
- Molecular weight
- 290.7
Names & synonyms
444286-01-5N-(1,3-benzodioxol-5-yl)-N'-(3-chlorophenyl)ureaRefChem:823344662-114-21-(1,3-benzodioxol-5-yl)-3-(3-chlorophenyl)ureaZINC474619N-1,3-benzodioxol-5-yl-N'-(3-chlorophenyl)ureaZINC00474619Cambridge id 7244303Oprea1_427210MLS000088425CHEMBL1534598
Show more names
Urea, N-1,3-benzodioxol-5-yl-N'-(3-chlorophenyl)-
HMS2354J03MFCD03033524STK012925AKOS003047680O=C(Nc1cccc(c1)Cl)Nc1ccc2c(c1)OCO2SMR000071799ZINC000000474619N13BENZODIOXOL5YLN(3CHLOROPHENYL)UREA
Database identifiers
- CAS
444286-01-5- PubChem CID
- 897033
- ChEMBL
CHEMBL1534598- EC Number
- 662-114-2
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 355
Physicochemical properties
- Boiling point
- 339.1 · 339.1±42.0 °C(Predicted)
- Density
- 1.506 · 1.506±0.06 g/cm3(Predicted)
- pka
- 13.21 · 13.21±0.20(Predicted)
- Symbol(GHS)
- 9 · GHS09,GHS06
- Signal word
- Danger
- Hazard statements
- 410 · H410-H301
- Precautionary statements
- 273 · P273-P391-P501-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, P273, P301+P316, P321, P330, P391, P405, 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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS09,GHS06
- Hazard statements
- H410-H301
- Precautionary statements
- P273-P391-P501-P264-P270-P301+P310-P321-P330-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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