Basic information
- CAS
332040-86-5- Standard SMILES
O=C1C(O)C(O)C(=O)N1Cc1ccccc1- InChIKey
IZBMPGFJNIDMRR-UHFFFAOYSA-N- Molecular formula
- C11H11NO4
- Average molar mass
- 221.21 g/mol
- Monoisotopic mass
- 221.06880783
Names & identifiers
- Preferred name
- 1-Benzyl-3,4-dihydroxypyrrolidine-2,5-dione
- IUPAC
- 1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione
- English name
- 3,4-Dihydroxy-1-(phenylmethyl) 2,5-pyrrolidinedione
- Molecular formula
- C11H11NO4
- Molecular weight
- 221.21
Names & synonyms
1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione332040-86-5DTXSID6099738176045-62-0RefChem:429805DTXCID901424385871-267-61-Benzyl-3,4-dihydroxy-2,5-pyrrolidinedioneF3145-05053,4-Dihydroxy-1-(phenylmethyl) 2,5-pyrrolidinedioneN-benzyl tartarimideD-N-Benzyl tartarimide
Show more names
Oprea1_743384Oprea1_787426SCHEMBL3990677HMS1787L05SMSSF-0053933HNA04086AKOS001051493SB46451
Database identifiers
- CAS
332040-86-5- PubChem CID
- 519682
- EC Number
- 871-267-6
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 278
Physicochemical properties
- Boiling point
- 489.3 · 489.3±45.0 °C(Predicted)
- Density
- 1.525 · 1.525±0.06 g/cm3(Predicted)
- pka
- 11.11 · 11.11±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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]
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers1 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
Related reactions
5 records
Compound notes
Loading…