Basic information
- CAS
84379-71-5- Standard SMILES
O=C(CCc1ccccc1)ON1C(=O)c2ccccc2C1=O- InChIKey
JPQIUWUEOYWICT-UHFFFAOYSA-N- Molecular formula
- C17H13NO4
- Average molar mass
- 295.29 g/mol
- Monoisotopic mass
- 295.0844579
Names & identifiers
- Preferred name
- 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 3-phenylpropanoate
- IUPAC
- (1,3-dioxoisoindol-2-yl) 3-phenylpropanoate
- English name
- Benzenepropanoic acid, 1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl ester
- Molecular formula
- C17H13NO4
- Molecular weight
- 295.29
Names & synonyms
84379-71-51,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOL-2-YL 3-PHENYLPROPANOATERefChem:414826847-922-71,3-Dioxoisoindolin-2-yl 3-phenylpropanoate(1,3-dioxoisoindol-2-yl) 3-phenylpropanoateMFCD021895331,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl benzenepropanoateBenzenepropanoic acid phthalimidyl esterSCHEMBL28557948JDA37971SY473602
Show more names
2-[(3-phenylpropanoyl)oxy]isoindole-1,3-dione
(1,3-dioxoisoindolin-2-yl) 3-phenylpropanoateF71882EN300-6514361F868170Benzenepropanoic acid, 1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl ester
Database identifiers
- CAS
84379-71-5- PubChem CID
- 3693673
- EC Number
- 847-922-7
- Nikkaji
- J2.218.462H
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 432
Physicochemical properties
- Melting point
- 84.2 · 84.2-84.5 °C(Solv: dichloromethane (75-09-2); hexane (110-54-3))
- Boiling point
- 466.6 · 466.6±38.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335-H302
- 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
- H319-H315-H335-H302
- 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
Upstream & downstream products
Downstream products
Suppliers21 total
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
河南利恩化工产品有限公司0371-63357898 15378766539 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
上海裕兰生物科技有限公司021-57171705 13817537615 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
山东领海生物科技有限公司15092083467 · [email protected]
上海锌果科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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