N-Allylphthalimide

HCID 224401CAS 5428-09-1

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Basic information

Standard SMILES: C=CCN1C(=O)c2ccccc2C1=O
InChIKey: MHHGQWMCVNQHLG-UHFFFAOYSA-N
Molecular formula: C11H9NO2
Average molar mass: 187.19 g/mol
Monoisotopic mass: 187.06332853

Names & identifiers

Preferred name: N-Allylphthalimide
IUPAC: 2-prop-2-enylisoindole-1,3-dione
English name: N-ALLYLPHTHALIMIDE
Molecular formula: C11H9NO2
Molecular weight: 187.19

Names & synonyms

N-AllylphthalimideRefChem:828964622-161-12-Allylisoindoline-1,3-dione5428-09-1N-(2-Propenyl)phthalimide2-prop-2-enylisoindole-1,3-dione2-Allyl-1H-isoindole-1,3(2H)-dione2-(prop-2-en-1-yl)-1H-isoindole-1,3(2H)-dioneMFCD001586621H-Isoindole-1,3(2H)-dione, 2-(2-propen-1-yl)-SCHEMBL170913

Show more names

IFLAB-BB F1799-0016N-Allylphthalimide >N-Allylphthalimide,97%2-Allyl-2H-isoindole-1,3-dione

2-(prop-2-en-1-yl)-2,3-dihydro-1H-isoindole-1,3-dioneAKOS001577755SY055438EN300-1091692-(2-propenyl)-1H-Isoindole-1,3(2H)-dioneN-AllylphthalimidN-allyl-phthalimideNSC12801

Database identifiers

CAS: 5428-09-1
PubChem CID: 224401
DTXSID: DTXSID50279481
EC Number: 622-161-1
Nikkaji: J371.475F

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 37.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 261

Physicochemical properties

Melting point: 68 to · 68.0 to 72.0 °C
Boiling point: 295 °C · 295°C(lit.)
Density: 1.233 · 1.233±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
form: Solid
pka: -2.18 · -2.18±0.20(Predicted)
color: White
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (95.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.