Basic information
- CAS
99972-91-5- Standard SMILES
CCOC(=O)ON1C(=O)c2ccccc2C1=O- InChIKey
VXEAWVMTERBHFX-UHFFFAOYSA-N- Molecular formula
- C11H9NO5
- Average molar mass
- 235.19 g/mol
- Monoisotopic mass
- 235.04807239
Names & identifiers
- Preferred name
- N-(Ethoxycarbonyloxy)phthalimide
- IUPAC
- (1,3-dioxoisoindol-2-yl) ethyl carbonate
- English name
- 2-[(ethoxycarbonyl)oxy]-1H-isoindole-1,3(2H)-dione
- Molecular formula
- C11H9NO5
- Molecular weight
- 235.19286
Names & synonyms
99972-91-5N-(ETHOXYCARBONYLOXY)PHTHALIMIDERefChem:828468666-637-71,3-Dioxoisoindolin-2-yl ethyl carbonateCHEMBL554162-[(ethoxycarbonyl)oxy]-1H-isoindole-1,3(2H)-dione(1,3-dioxoisoindol-2-yl) ethyl carbonateSCHEMBL12471113BDBM50034999AKOS024334391AE-848/31946048
Show more names
Carbonic acid 1,3-dioxo-1,3-dihydro-isoindol-2-yl ester ethyl ester
Database identifiers
- CAS
99972-91-5- PubChem CID
- 828043
- ChEMBL
CHEMBL55416- EC Number
- 666-637-7
- Nikkaji
- J360.217F
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 330
Physicochemical properties
- Symbol(GHS)
- 9 · GHS09,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H400
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P273-P391-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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P273, P301+P316, P321, P330, P391, P405, 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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS09,GHS06
- Hazard statements
- H301-H400
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P273-P391-P501
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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