Basic information
- CAS
13208-62-3- Standard SMILES
O=C(NCc1ccccc1)Nc1ccc(Br)cc1- InChIKey
BTYUPTJAFCJIHQ-UHFFFAOYSA-N- Molecular formula
- C14H13BrN2O
- Average molar mass
- 305.17 g/mol
- Monoisotopic mass
- 304.02113
Names & identifiers
- Preferred name
- 1-Benzyl-3-(4-bromophenyl)urea
- IUPAC
- 1-benzyl-3-(4-bromophenyl)urea
- English name
- 1-Benzyl-3-(4-bromophenyl)urea
- Molecular formula
- C14H13BrN2O
- Molecular weight
- 305.17
Names & synonyms
1-benzyl-3-(4-bromophenyl)urea13208-62-3DTXSID70404359RefChem:227995DTXCID90355213667-322-7Urea, N-(4-bromophenyl)-N'-(phenylmethyl)-SCHEMBL27942206N-benzyl-N' -4-bromophenylureaN-Benzyl-N'-(4-bromophenyl)ureaMFCD00017794AKOS016502325
Show more names
A1-11497
Database identifiers
- CAS
13208-62-3- PubChem CID
- 4569723
- DTXSID
DTXSID70404359- EC Number
- 667-322-7
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 259
Physicochemical properties
- Boiling point
- 407.9 · 407.9±45.0 °C(Predicted)
- Density
- 1.465 · 1.465±0.06 g/cm3(Predicted)
- pka
- 13.88 · 13.88±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319-H302
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, 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. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317-H319-H302
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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