1-Furfuryl-3-(3-nitrophenyl)urea
Basic information
- CAS
6297-92-3- Standard SMILES
O=C(NCc1ccco1)Nc1cccc([N+](=O)[O-])c1- InChIKey
YZFQPQTYOQFPBJ-UHFFFAOYSA-N- Molecular formula
- C12H11N3O4
- Average molar mass
- 261.23 g/mol
- Monoisotopic mass
- 261.07495584
Names & identifiers
- Preferred name
- 1-Furfuryl-3-(3-nitrophenyl)urea
- IUPAC
- 1-(furan-2-ylmethyl)-3-(3-nitrophenyl)urea
Names & synonyms
1-Furfuryl-3-(3-nitrophenyl)ureaRefChem:432894667-233-31-(furan-2-ylmethyl)-3-(3-nitrophenyl)urea6297-92-3MLS000736610NSC 45745NSC45745CHEMBL1383446DTXSID30286431HMS2885P24NSC-45745
Show more names
AKOS001329172SMR000528217N-[(Furan-2-yl)methyl]-N'-(3-nitrophenyl)ureaZ103379570
Database identifiers
- CAS
6297-92-3- PubChem CID
- 239941
- DTXSID
DTXSID30286431- ChEMBL
CHEMBL1383446- EC Number
- 667-233-3
- Nikkaji
- J2.966.917A
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 331
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]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, 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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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