1-Phenylbiuret
Basic information
- CAS
13911-40-5- Standard SMILES
NC(=O)NC(=O)Nc1ccccc1- InChIKey
MJJSNLJGOXWVEU-UHFFFAOYSA-N- Molecular formula
- C8H9N3O2
- Average molar mass
- 179.18 g/mol
- Monoisotopic mass
- 179.06947654
Names & identifiers
- Preferred name
- 1-Phenylbiuret
- IUPAC
- 1-carbamoyl-3-phenylurea
- English name
- 1-Phenylbiuret
- Molecular formula
- C8H9N3O2
- Molecular weight
- 179.18
Names & synonyms
1-PhenylbiuretRefChem:435677633-041-313911-40-5N-Phenyldicarbonimidic diamide1-carbamoyl-3-phenylureaphenylbiuretNSC190523SCHEMBL3071721SCHEMBL3965279N-Phenyldicarbonimidic diamide #DTXSID50307253
Show more names
1-(N-Phenylaminocarbonyl)ureaImidodicarbonic diamide, N-phenyl-
MJJSNLJGOXWVEU-UHFFFAOYSA-NN-Phenyl-2-imidodicarbonic diamideAKOS003245296NSC-190523
Database identifiers
- CAS
13911-40-5- PubChem CID
- 302801
- DTXSID
DTXSID50307253- EC Number
- 633-041-3
- Nikkaji
- J14.263H
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 200
Physicochemical properties
- Melting point
- 164 · 164-167 °C(Solv: ethanol (64-17-5); acetone (67-64-1))
- Density
- 1.356 · 1.356±0.06 g/cm3(Predicted)
- pka
- 10.5 · 10.50±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · 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]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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