Basic information
- CAS
13114-91-5- Standard SMILES
O=C(Nc1ccccc1)Nc1ccccc1Br- InChIKey
LCOWZPIPSUYVOG-UHFFFAOYSA-N- Molecular formula
- C13H11BrN2O
- Average molar mass
- 291.14 g/mol
- Monoisotopic mass
- 290.00548
Names & identifiers
- Preferred name
- 1-(2-Bromophenyl)-3-phenylurea
- IUPAC
- 1-(2-bromophenyl)-3-phenylurea
- English name
- 3-(2-bromophenyl)-1-phenylurea
- Molecular formula
- C13H11BrN2O
- Molecular weight
- 291.14324
Names & synonyms
1-(2-bromophenyl)-3-phenylureaN-(2-bromophenyl)-N'-phenylureaRefChem:421681662-120-513114-91-55269-25-0Cambridge id 5269250MLS001007254CHEMBL475754SCHEMBL8746726LCOWZPIPSUYVOG-UHFFFAOYSA-DTXSID80967127
Show more names
3-(2-bromophenyl)-1-phenylurea
HMS1579A01HMS2734C08STK395484AKOS000181748EBC-612301N-(2-bromophenyl)(phenylamino)carboxamideSMR000352520ST50556466
Database identifiers
- CAS
13114-91-5、5269-25-0- PubChem CID
- 765466
- DTXSID
DTXSID80967127- ChEMBL
CHEMBL475754- EC Number
- 662-120-5
- Nikkaji
- J1.926.000C
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 254
Experimental & physicochemical properties
Solubility2.1 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Symbol(GHS)
- 9 · GHS09
- Hazard statements
- 411 · H411
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
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term 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 Chronic 2 (100%)
Safety data
- Symbol(GHS)
- GHS09
- Hazard statements
- H411
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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