Basic information
- CAS
1200-89-1- Standard SMILES
O=C1C=CC(=O)C2C3C=CC(C3)C12- InChIKey
FQLRTGXTYFCECH-UHFFFAOYSA-N- Molecular formula
- C11H10O2
- Average molar mass
- 174.2 g/mol
- Monoisotopic mass
- 174.06807956
Names & identifiers
- Preferred name
- 1,4-Methanonaphthalene-5,8-dione, 1,4,4a,8a-tetrahydro-
- IUPAC
- tricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione
- English name
- 1,4,4 A,8 A-TETRAHYDRO-ENDO-1,4-METHANONAPHTHALENE-5,8-DIONE
- Molecular formula
- C11H10O2
- Molecular weight
- 174.2
Names & synonyms
1200-89-1Cyclopentadienebenzoquinone1,4,4a,8a-Tetrahydro-1,4-methanonaphthalene-5,8-dione1,4-Methanonaphthalene-5,8-dione, 1,4,4a,8a-tetrahydro-NSC 25329DTXSID008718331,4,4-.alpha.,8-.alpha.-Tetrahydro-endo-1,4-methanonaphthalene-5,8-dione1,4,4-Alpha,8-alpha-tetrahydro-endo-1,4-methanonaphthalene-5,8-dioneRefChem:73361DTXCID60819453FQLRTGXTYFCECH-UHFFFAOYSA-N1,4,4a,8a-Tetrahydro-endo-1,4-methanonaphthalene-5,8-dione
Show more names
TIMTEC-BB SBB008147CYCLOPENTADIENE-QUINONE (1:1)ADDUCT8-dione,1,4,4a,8a-tetrahydro-4-methanonaphthalene-54A 5,8 8A-TETRAHYDRO-5,8-METHANO-1,4-NAPHTHOQUINONE4a,5,8,8a-Tetrahydro-5,8-methanonaphthalene-1,4-dioneendo-Tricyclo[6.2.1.0(2,7)]undeca-4,9-diene-3,6-dione
tricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione1,4,4 A,8 A-TETRAHYDRO-ENDO-1,4-METHANONAPHTHALENE-5,8-DIONE51175-59-8Tricyclo[6.2.1.0,2,7]undeca-4,9-diene-3,6-dionetricyclo[6.2.1.0<2,7>]undeca-4,9-diene-3,6-dioneNSC25329CYCLOPENTADIENE-BENZOQUINONE ADDUCT (1:1)SCHEMBL2386798
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 319
Physicochemical properties
- Melting point
- 77 · 77-79 °C(lit.)
- Boiling point
- 265.17 °C · 265.17°C (rough estimate)
- Density
- 1.0844 · 1.0844 (rough estimate)
- refractive index
- 1.525 · 1.5250 (estimate)
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- 1 · 1,4,4a,8a-Tetrahydro-1,4-methanonaphthalene-5,8-dione (1200-89-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
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
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 2 reports by companies from 1 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,4-Methanonaphthalene-5,8-dione, 1,4,4a,8a-tetrahydro-: INACTIVE
Applications
Uses1,4,4a,8a-Tetrahydro-endo-1,4-methanonaphthalene-5,8-dione is reduced to 5,8-dihydroxy-1,4-dihydro-1,4-methanonaphthalene (DDMN), a substituted phenol with antioxidant activity and a potential radio-protector.
Suppliers4 total
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
Related reactions
6 records
Compound notes
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