1H-Isoindole-1,3(2H)-dione, 2-ethenyl-

HCID 77035

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 3485-84-5
Standard SMILES: C=CN1C(=O)c2ccccc2C1=O
InChIKey: IGDLZDCWMRPMGL-UHFFFAOYSA-N
Molecular formula: C10H7NO2
Average molar mass: 173.17 g/mol
Monoisotopic mass: 173.04767846

Names & identifiers

Preferred name: 1H-Isoindole-1,3(2H)-dione, 2-ethenyl-
IUPAC: 2-ethenylisoindole-1,3-dione
English name: N-VINYLPHTHALIMIDE
Molecular formula: C10H7NO2
Molecular weight: 173.17

Names & synonyms

N-Vinylphthalimide3485-84-5Phthalimide, N-vinyl-1H-Isoindole-1,3(2H)-dione, 2-ethenyl-2-Ethenyl-1H-isoindole-1,3(2H)-dioneEINECS 222-473-4NSC 10395DTXSID3063049RefChem:438817DTXCID1038909222-473-4InChI=1/C10H7NO2/c1-2-11-9(12)7-5-3-4-6-8(7)10(11)13/h2-6H,1H

Show more names

N-vinylo-phenylimineN-Vinylphthalimide,99%N-VinylphthaliMide, 98.0%(GC)

2-Vinylisoindoline-1,3-dione2-ethenylisoindole-1,3-dione2-Vinyl-1H-isoindole-1,3(2H)-dioneMFCD000784462-Ethenyl-1,3-dihydro-1,3-dioxoisoindolevinylphthalimideNSC-103952-vinylbenzo[c]azolidine-1,3-dione

Database identifiers

CAS: 3485-84-5
PubChem CID: 77035
DTXSID: DTXSID3063049
UNII: JV9GYG4GWX
EC Number: 222-473-4
Nikkaji: J216.147H

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 37.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 248

Physicochemical properties

Melting point: 84 · 84-86 °C(lit.)
Boiling point: 151 °C · 151 °C / 9mmHg
Density: 1.402 · 1.402
storage temp.: Inert atmosphere,Room Temperature
form: Crystalline Powder
pka: -2.45 · -2.45±0.20(Predicted)
color: Off-white to light yellow
BRN: 127880 · 127880
InChIKey: IGDLZDCWMRPMGL-UHFFFAOYSA-N
CAS DataBase Reference: 3485 · 3485-84-5(CAS DataBase Reference)
EPA Substance Registry System: 1 H-Isoindole-1,3 · 1H-Isoindole-1,3(2H)-dione, 2-ethenyl- (3485-84-5)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 280 g-P261-P305+P351+P338 · P280g-P261-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
TSCA: TSCA listed
HazardClass: IRRITANT
HS Code: 29251900 · 29251900

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk: 3
tsca: TSCA listed
hs_code: 29251900
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Hazard statements: H315-H319-H335
Precautionary statements: P280g-P261-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1H-Isoindole-1,3(2H)-dione, 2-ethenyl-: INACTIVE

Applications

UsesN-Vinylphthalimide is a reactant that has been used in the preparation of trifluoromethylaryl-substituted fused piperidinecarboxamides as TRPM8 cation channel inhibitors.