5,6,7,8-tetrahydro-1H-cyclohepta[c]furan-1,3(4H)-dione
Basic information
- CAS
10412-04-1- Standard SMILES
O=C1OC(=O)C2=C1CCCCC2- InChIKey
CVNJOSWQRUPTGE-UHFFFAOYSA-N- Molecular formula
- C9H10O3
- Average molar mass
- 166.17 g/mol
- Monoisotopic mass
- 166.06299418
Names & identifiers
- Preferred name
- 5,6,7,8-tetrahydro-1H-cyclohepta[c]furan-1,3(4H)-dione
- IUPAC
- 5,6,7,8-tetrahydro-4H-cyclohepta[c]furan-1,3-dione
- English name
- 1H-Cyclohepta[c]furan-1,3(4H)-dione, 5,6,7,8-tetrahydro-
- Molecular formula
- C9H10O3
- Molecular weight
- 166.17
Names & synonyms
10412-04-15,6,7,8-tetrahydro-1H-cyclohepta[c]furan-1,3(4H)-dione1H,3H,4H,5H,6H,7H,8H-cyclohepta[c]furan-1,3-dione5,6,7,8-tetrahydro-4H-cyclohepta[c]furan-1,3-dioneSCHEMBL2646145DTXSID70545039CVNJOSWQRUPTGE-UHFFFAOYSA-NKAA41204AKOS0243292311-cycloheptene-1,2-dicarboxylic anhydrideEN300-17085875,6,7,8-tetrahydro-4H-cyclohepta[c]furan-1,3-quinone
Show more names
1H-Cyclohepta[c]furan-1,3(4H)-dione, 5,6,7,8-tetrahydro-
Database identifiers
- CAS
10412-04-1- PubChem CID
- 13613754
- DTXSID
DTXSID70545039- EC Number
- 172-128-6
- Nikkaji
- J3.256.846G
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
- 12
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- Melting point
- 56 · 56-57 °C(Solv: methylcyclohexane (108-87-2))
- Boiling point
- 112 °C · 112 °C(Press: 1.1 Torr)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- 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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P233, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P321, P330, P333+P317, P342+P316, P362+P364, P403, and P501 (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 CategoriesAcute Tox. 4 (100%)
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
Upstream raw materials
Related reactions
3 records
Compound notes
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