1-(4-Fluorophenyl)-3-(4-methoxyphenyl)urea
Basic information
- CAS
107676-55-1- Standard SMILES
COc1ccc(NC(=O)Nc2ccc(F)cc2)cc1- InChIKey
TYFLHNPOKOIZSJ-UHFFFAOYSA-N- Molecular formula
- C14H13FN2O2
- Average molar mass
- 260.26 g/mol
- Monoisotopic mass
- 260.09610582
Names & identifiers
- Preferred name
- 1-(4-Fluorophenyl)-3-(4-methoxyphenyl)urea
- IUPAC
- 1-(4-fluorophenyl)-3-(4-methoxyphenyl)urea
- English name
- 1-(4-Fluorophenyl)-3-(4-methoxyphenyl)urea
- Molecular formula
- C14H13FN2O2
- Molecular weight
- 260.26
Names & synonyms
1-(4-fluorophenyl)-3-(4-methoxyphenyl)urea107676-55-1RefChem:425544666-677-5NSC158970Cambridge id 5358745Oprea1_270287SCHEMBL4921448STK979728AKOS003746299NSC-158970N-(4-fluorophenyl)-N'-(4-methoxyphenyl)urea
Show more names
Urea, N-(4-fluorophenyl)-N'-(4-methoxyphenyl)-
AB00082863-01SR-01000206949SR-01000206949-1
Database identifiers
- CAS
107676-55-1- PubChem CID
- 292805
- EC Number
- 666-677-5
- Nikkaji
- J3.500.551J
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 285
Physicochemical properties
- Boiling point
- 302.6 · 302.6±27.0 °C(Predicted)
- Density
- 1.313 · 1.313±0.06 g/cm3(Predicted)
- pka
- 13.48 · 13.48±0.70(Predicted)
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400
- Precautionary statements
- 273 · P273-P391-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
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, 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.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H400
- Precautionary statements
- P273-P391-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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