4-Phthalimidobutyronitrile
Basic information
- CAS
3184-61-0- Standard SMILES
N#CCCCN1C(=O)c2ccccc2C1=O- InChIKey
VORDNGFQVIFSBE-UHFFFAOYSA-N- Molecular formula
- C12H10N2O2
- Average molar mass
- 214.22 g/mol
- Monoisotopic mass
- 214.07422756
Names & identifiers
- Preferred name
- 4-Phthalimidobutyronitrile
- IUPAC
- 4-(1,3-dioxoisoindol-2-yl)butanenitrile
- English name
- 4-(1,3-dioxoisoindol-2-yl)butanenitrile
- Molecular formula
- C12H10N2O2
- Molecular weight
- 214.22
Names & synonyms
3184-61-04-Phthalimidobutyronitrile4-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)butanenitrile4-(1,3-dioxoisoindol-2-yl)butanenitrile4-(1,3-Dioxoisoindolin-2-yl)butanenitrileMFCD007973144-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butanenitrile2H-Isoindole-2-butanenitrile, 1,3-dihydro-1,3-dioxo-NSC92793N-(3-Cyanopropyl)phthalimide2H-Isoindole-2-butanenitrile,1,3-dihydro-1,3-dioxo-SCHEMBL5889451
Show more names
4-Phthaloimidobutyronitrile4-(1,3-dioxo-2-isoindolyl)butanenitrile4-(1,3-dioxo-2-isoindolinyl)butanenitrile4-(1,3-diketoisoindolin-2-yl)butyronitrile4-(1,3-DIOXO-1,3-DIHYDRO-ISOINDOL-2-YL)-BUTYRONITRILE
SCHEMBL29459491DTXSID90293888ALBB-018676NSC-92793STL262626AKOS000195812SB64825LS-06120
Database identifiers
- CAS
3184-61-0- PubChem CID
- 260950
- DTXSID
DTXSID90293888- EC Number
- 119-454-7
- Nikkaji
- J1.530.553C
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 61.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 331
Physicochemical properties
- 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
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 (50%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers
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Related reactions
3 records
Compound notes
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