Basic information
- CAS
113271-48-0- Standard SMILES
O=C(Nc1cccc(Cl)c1)Nc1cccc(Cl)c1Cl- InChIKey
ORHIGKRQNZQEPL-UHFFFAOYSA-N- Molecular formula
- C13H9Cl3N2O
- Average molar mass
- 315.6 g/mol
- Monoisotopic mass
- 313.978046
Names & identifiers
- Preferred name
- 1-(3-Chlorophenyl)-3-(2,3-dichlorophenyl)urea
- IUPAC
- 1-(3-chlorophenyl)-3-(2,3-dichlorophenyl)urea
- English name
- 1-(3-Chlorophenyl)-3-(2,3-dichlorophenyl)urea
- Molecular formula
- C13H9Cl3N2O
- Molecular weight
- 315.58
Names & synonyms
1-(3-chlorophenyl)-3-(2,3-dichlorophenyl)urea113271-48-0RefChem:423633666-484-6Oprea1_260270STK917809AKOS001133939Z44603233Urea, N-(3-chlorophenyl)-N'-(2,3-dichlorophenyl)-
Database identifiers
- CAS
113271-48-0- PubChem CID
- 765417
- EC Number
- 666-484-6
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 316
Physicochemical properties
- Boiling point
- 339.2 · 339.2±42.0 °C(Predicted)
- Density
- 1.534 · 1.534±0.06 g/cm3(Predicted)
- pka
- 12.67 · 12.67±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 319 · H319-H410
- Precautionary statements
- 273 · P273-P391-P501-P264-P280-P305+P351+P338-P337+P313P
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, 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 CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H319-H410
- Precautionary statements
- P273-P391-P501-P264-P280-P305+P351+P338-P337+P313P
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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