Basic information
- CAS
114473-81-3- Standard SMILES
O=C1CC(=O)N(c2ccccc2)C1- InChIKey
YCWRLBFFWYMHAQ-UHFFFAOYSA-N- Molecular formula
- C10H9NO2
- Average molar mass
- 175.18 g/mol
- Monoisotopic mass
- 175.06332853
Names & identifiers
- Preferred name
- 1-Phenylpyrrolidine-2,4-dione
- IUPAC
- 1-phenylpyrrolidine-2,4-dione
- English name
- 1-Phenyl-pyrrolidine-2,4-dione
- Molecular formula
- C10H9NO2
- Molecular weight
- 175.18
Names & synonyms
1-phenylpyrrolidine-2,4-dione114473-81-32,4-Pyrrolidinedione, 1-phenyl-RefChem:233281829-783-4YCWRLBFFWYMHAQ-UHFFFAOYSA-N1-Phenyl-2,4-pyrrolidinedioneSCHEMBL39842DTXSID601347671PEA47381AKOS017974575AT32637
Show more names
2,4-pyrrolidinedione, 1-phenyl1-Phenyl-pyrrolidine-2,4-dione
DB-363763CS-0451758EN300-101791Z1331290848
Database identifiers
- CAS
114473-81-3- PubChem CID
- 21954875
- DTXSID
DTXSID601347671- EC Number
- 829-783-4
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- Boiling point
- 429.2 · 429.2±38.0 °C(Predicted)
- Density
- 1.279 · 1.279±0.06 g/cm3(Predicted)
- pka
- 8.39 · 8.39±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-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, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 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
- H302-H319-H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
Uses1-Phenyl-2,4-pyrrolidinedione is a synthetic intermediate and is obtained from N-Phenylglycine Ethyl Ester and Diethyl Malonate (D444420) which is used in the preparation of barbiturates, artificial flavourings, vitamin B1, and vitamin B6 as well as in perfumes.
Upstream & downstream products
Upstream raw materials
Suppliers7 total
杭州品高化工有限公司0571-87658025 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
南京美韬医药科技有限公司[email protected] · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +8619957148339 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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