Basic information
- CAS
4453-90-1- Standard SMILES
C1=CC2CC1c1ccccc12- InChIKey
IEGYXSAHRKJELM-UHFFFAOYSA-N- Molecular formula
- C11H10
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.07825032
Names & identifiers
- Preferred name
- 1,4-Dihydro-1,4-methanonaphthalene
- IUPAC
- tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
- English name
- 1,4-DIHYDRO-1,4-METHANONAPHTHALENE
- Molecular formula
- C11H10
- Molecular weight
- 142.2
Names & synonyms
1,4-Dihydro-1,4-methanonaphthalene4453-90-1NSC-1205402C6FWY5U5XDTXSID20873253RefChem:1053273DTXCID30820758224-696-2Benzonorbornadiene1,4-Methanonaphthalene, 1,4-dihydro-tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraeneEINECS 224-696-2
Show more names
4-Methanonaphthalene3,5-[1,2]Benzenocyclopentene1,4-Methano-1,4-dihydronaphthalene1,4-Dihydro-1,4-methylnaphthalene NO.TRICYCLO[6.2.1.0,UNDECA-2(7),3,5,9-TETRAENE
MFCD00213597NSC120540CS-B0002AKOS016004396tricyclo[6.2.1.0?,?]undeca-2(7),3,5,9-tetraene56842-50-3Benzonorbornadien1, 1,4-dihydro-
Database identifiers
- CAS
4453-90-1- PubChem CID
- 97391
- DTXSID
DTXSID20873253- UNII
- 2C6FWY5U5X
- EC Number
- 224-696-2
- Nikkaji
- J110.592B
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Boiling point
- 82.5 · 82.5-83.0 °C(Press: 12 Torr)
- Density
- 1.108 · 1.108±0.06 g/cm3(Predicted)
- refractive index
- 1.57 · 1.57
- Flash point
- 81 °C · 81 °C
- storage temp.
- 2 · 2-8°C
- Specific Gravity
- 1.04 · 1.04
- Appearance
- Colorless to light yellow Liquid
- InChI
- InChI=1S/C11H10/c1-2-4-11-9-6-5-8(7-9)10(11)3-1/h1-6,8-9H,7H2
- InChIKey
- IEGYXSAHRKJELM-UHFFFAOYSA-N
- SMILES
- C12CC(C3=C1C=CC=C3)C=C2
- CAS DataBase Reference
- 4453 · 4453-90-1
- NIST Chemistry Reference
- 1 · 1,4-Methanonaphthalene, 1,4-dihydro-(4453-90-1)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers59 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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