Bicyclo(2.2.2)oct-5-ene-2,3-dicarboxylic Anhydride

HCID 220977

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Basic information

CAS: 24327-08-0
Standard SMILES: O=C1OC(=O)C2C3C=CC(CC3)C12
InChIKey: YIHKILSPWGDWPR-UHFFFAOYSA-N
Molecular formula: C10H10O3
Average molar mass: 178.18 g/mol
Monoisotopic mass: 178.06299418

Overview

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Names & identifiers

Preferred name: Bicyclo(2.2.2)oct-5-ene-2,3-dicarboxylic Anhydride
IUPAC: 4-oxatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
English name: bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylic anhydride
Molecular formula: C10H10O3
Molecular weight: 178.18

Names & synonyms

Bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylic anhydridebicyclo(2.2.2)oct-5-ene-2,3-dicarboxylic anhydrideRefChem:568169678-216-56708-37-83a,4,7,7a-Tetrahydro-4,7-ethanoisobenzofuran-1,3-dione24327-08-0MFCD067963614-Oxatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione4,7-Ethanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-4,7-Ethanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-, (3a.alpha.,4.alpha.,7.alpha.,7a.alpha.)-4-oxatricyclo[5.2.2.0,2,6]undec-8-ene-3,5-dione

Show more names

4-oxatricyclo[5.2.2.02?]undec-8-ene-3,5-dioneBicylo[2,2,2]oct-5-ene-2,3-dicarboxylic anhydrideBicyclo[2.2.2]OCL-5-Ene-2,3-Dicarboxylic AnhydrideBicyclo[2.2.2]oct-5-ene-2,3-dicarboxylic Anhydride >6-Endoethylene-4-cyclohexene-1,2-dicarboxylic anhydride4,7-Ethenoisobenzofuran-1,3-dione, 3a,4,5,6,7,7a-hexahydro-endo-bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylic acid anhydride

cis-Bicyclo[2.2.2]oct-5-en-2,3-dicarboxylic acid, anhydrideendo-Bicyclo[2.2.2]octenedicarboxcyclic acid anhydride4-oxatricyclo[5.2.2.0<2,6>]undec-8-ene-3,5-dioneBicyclo[2.2.2]oct-5-ene-2,3-dicarboxylic anhydride, cis-endo-NSC238003Bicyclo[2.2.2]oct-5-ene-2, endo-Bicyclo[2.2.2]oct-5-ene-2, cis-endo-SCHEMBL351863

Database identifiers

CAS: 24327-08-0、6708-37-8
PubChem CID: 220977
DTXSID: DTXSID801380201
EC Number: 678-216-5
Nikkaji: J1.663.049G

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 13
Formal charge: 0
Complexity: 288

Physicochemical properties

Melting point: 148 °C · 148 °C
Boiling point: 340.9 · 340.9±42.0 °C(Predicted)
Density: 1.324 · 1.324
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
solubility: soluble in Acetone
form: powder to crystal
color: White to Almost white
InChI: InChI=1S/C10H10O3/c11-9-7-5-1-2-6(4-3-5)8(7)10(12)13-9/h1-2,5-8H,3-4H2
InChIKey: YIHKILSPWGDWPR-UHFFFAOYSA-N
SMILES: C1(=O)C2C(C3CCC2C=C3)C(=O)O1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
HS Code: 2932990090 · 2932990090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2932990090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313