Basic information
- CAS
26843-47-0- Standard SMILES
O=C1OC(=O)C2C3CCC(CC3)C12- InChIKey
BRHQMPOFCRGJCM-UHFFFAOYSA-N- Molecular formula
- C10H12O3
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.07864424
Names & identifiers
- Preferred name
- 4-Oxatricyclo[5.2.2.0,2,6]undecane-3,5-dione
- IUPAC
- 4-oxatricyclo[5.2.2.02,6]undecane-3,5-dione
- English name
- Bicyclo[2.2.2]octane-2,3-dicarboxylic anhydride
- Molecular formula
- C10H12O3
- Molecular weight
- 180.2
Names & synonyms
4-Oxatricyclo[5.2.2.0,2,6]undecane-3,5-dione4-oxatricyclo(5.2.2.0,2,6)undecane-3,5-dioneRefChem:526094839-556-126843-47-0bicyclo[2.2.2]octane-2,3-dicarboxylic anhydrideHexahydro-4,7-ethanoisobenzofuran-1,3-dione4-Oxatricyclo[5.2.2.02,6]undecane-3,5-dioneMFCD00180708NSC73663NCIOpen2_000426NORBORANE-2-EXO,3-EXO-DICARBOXYLIC ACID ANHYDRIDE
Show more names
TIMTEC-BB SBB0076454,7-Ethanoisobenzofuran-1,3-dione, hexahydro-4-OXATRICYCLO[5.2.2.0(2,6)]UNDECANE-3,5-DIONE
SCHEMBL3943974-oxatricyclo[5.2.2.0~2,6~]undecane-3,5-dioneSCHEMBL17243591DTXSID40291177BRHQMPOFCRGJCM-UHFFFAOYSA-NBBA84347NSC-73663SBB007645
Database identifiers
- CAS
26843-47-0- PubChem CID
- 252250
- DTXSID
DTXSID40291177- EC Number
- 839-556-1
- Nikkaji
- J1.741.639A
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 248
Physicochemical properties
- Melting point
- 251 · 251-253 °C (decomp)
- Boiling point
- 336.6 · 336.6±11.0 °C(Predicted)
- Density
- 1.275 · 1.275±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- HS Code
- 2932990090 · 2932990090
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]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)；Skin Irrit. 2 (50%)；Eye Irrit. 2A (50%)；STOT SE 3 (50%)
Safety data
- hs_code
- 2932990090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers2 total
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
13 records
Compound notes
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