Basic information
- CAS
30345-85-8- Standard SMILES
O=C1NC(=O)N(Cc2ccccc2)C1=O- InChIKey
GGLAGGHAVVZWSQ-UHFFFAOYSA-N- Molecular formula
- C10H8N2O3
- Average molar mass
- 204.18 g/mol
- Monoisotopic mass
- 204.05349212
Names & identifiers
- Preferred name
- 1-Benzylimidazolidine-2,4,5-trione
- IUPAC
- 1-benzylimidazolidine-2,4,5-trione
- English name
- 1-Benzyl-1H-imidazole-2,4,5(3H)-trione
- Molecular formula
- C10H8N2O3
- Molecular weight
- 204.18
Names & synonyms
1-Benzylimidazolidine-2,4,5-trione30345-85-81-benzyl-1H-imidazole-2,4,5(3H)-trioneMFCD01314649CHEMBL1360967MLS001165656SCHEMBL5384563DTXSID50876217HMS2854E06FBA34585BDBM504836433-benzyl-2,4,5-trioxo-imidazolidine
Show more names
2,4,5-Imidazolidinetrione, 1-(phenylmethyl)-
AKOS001039186EBC-6124951-Benzyl-2,4,5-imidazolidinetrione #SMR0005498451-(Phenylmethyl)-2,4,5-imidazolidinetrioneEN300-069739M-038G21032
Database identifiers
- CAS
30345-85-8- PubChem CID
- 562619
- DTXSID
DTXSID50876217- ChEMBL
CHEMBL1360967- EC Number
- 182-022-1
- Nikkaji
- J1.583.942B
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 308
Experimental & physicochemical properties
Solubility>30.6 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 167 · 167-169 °C
- Density
- 1.421 · 1.421±0.06 g/cm3(Predicted)
- pka
- 6.39 · 6.39±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
2 records
Compound notes
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