Basic information
- CAS
13208-46-3- Standard SMILES
O=C(Nc1ccc(F)cc1)Nc1ccc(Cl)c(Cl)c1- InChIKey
XEQQGFZJDTZBFF-UHFFFAOYSA-N- Molecular formula
- C13H9Cl2FN2O
- Average molar mass
- 299.12 g/mol
- Monoisotopic mass
- 298.0075965
Names & identifiers
- Preferred name
- 1-(3,4-Dichlorophenyl)-3-(4-fluorophenyl)urea
- IUPAC
- 1-(3,4-dichlorophenyl)-3-(4-fluorophenyl)urea
- English name
- 1-(3,4-Dichlorophenyl)-3-(4-fluorophenyl)urea, 97%
- Molecular formula
- C13H9Cl2FN2O
- Molecular weight
- 299.13
Names & synonyms
1-(3,4-dichlorophenyl)-3-(4-fluorophenyl)urea13208-46-3RefChem:422788666-487-2Cambridge id 5363769CHEMBL1688071STK017197AKOS001024560N-(3,4-dichlorophenyl)-N'-(4-fluorophenyl)ureaZ44586746Urea, N-(3,4-dichlorophenyl)-N'-(4-fluorophenyl)-1-(3,4-Dichlorophenyl)-3-(4-fluorophenyl)urea, 97%
Database identifiers
- CAS
13208-46-3- PubChem CID
- 768083
- ChEMBL
CHEMBL1688071- EC Number
- 666-487-2
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 311
Physicochemical properties
- Boiling point
- 316.6 · 316.6±42.0 °C(Predicted)
- Density
- 1.511 · 1.511±0.06 g/cm3(Predicted)
- pka
- 12.86 · 12.86±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 319 · H319-H411
- Precautionary statements
- 264 · 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-H411
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers2 total
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…