Dibenzo-24-crown-8
Basic information
- CAS
14174-09-5- Standard SMILES
c1ccc2c(c1)OCCOCCOCCOc1ccccc1OCCOCCOCCO2- InChIKey
UNTITLLXXOKDTB-UHFFFAOYSA-N- Molecular formula
- C24H32O8
- Average molar mass
- 448.5 g/mol
- Monoisotopic mass
- 448.20971797
Names & identifiers
- Preferred name
- Dibenzo-24-crown-8
- IUPAC
- 2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene
- English name
- Dibenzo-24-crown-8
- Molecular formula
- C24H32O8
- Molecular weight
- 448.51
Names & synonyms
Dibenzo-24-crown-814174-09-5dibenzo[24]crown-8Dibenzo(24)crown-8DTXSID501618176,7,9,10,12,12,20,21,23,24,26,27-dodecahydrodibenzo(b,n)-(1,4,7,10,13,16,19,22)octaoxacyclotetracosinRefChem:132842DTXCID5084308238-027-7Dibenzo-24-crown 8-etherDibenzo-24-crown-8-etherMFCD00005101
Show more names
Diabenzo-24-Bcrown-8Dibenzo-24-crown-8,98%Dibenzo-24-crown-8 98%dibenzo-24-crown etherbeta-Dibenzo-24-crown-8[4,4]-DIBENZO-24-CROWN-8dibenzenebenzo-24-ether-8[4,4]-Dibenzo-24-crown-8,98%
Crown ether dibenzo-24-crown-82,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaeneDibenz[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosin, 6,7,9,10,12,13,20,21,23,24,26,27-dodecahydro-6,7,9,10,12,13,20,21,23,24,26,27-Dodecahydrodibenzo[b,N][1,4,7,10,13,16,19,22]octaoxacyclotetracosine2,3,14,15-Dibenzo-1,4,7,10,13,16,19,22-octaoxacyclotetracosa-2,14-dieneEINECS 238-027-76,7,9,10,12,13,20,21,23,24,26,27-Dodecahydrodibenz(b,n)(1,4,7,10,13,16,19,22)octaoxacyclotetracosindibenzo-24-crown-8 ether
Database identifiers
- CAS
14174-09-5- PubChem CID
- 84238
- DTXSID
DTXSID50161817- ChEMBL
CHEMBL154420- EC Number
- 238-027-7
- Nikkaji
- J151.278A
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 372
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Other Organic Compounds
SpringerMaterials PropertiesFusion temperature
LogP2.11
Physical DescriptionWhite powder; [Acros Organics MSDS]
Physicochemical properties
- Melting point
- 103 · 103-105 °C(lit.)
- Boiling point
- 517.23 °C · 517.23°C (rough estimate)
- Density
- 1.1606 · 1.1606 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- almost transparency in hot Methanol
- form
- crystal
- color
- white
- Sensitive
- air sensitive
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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationDibenzb,n1,4,7,10,13,16,19,22octaoxacyclotetracosin, 6,7,9,10,12,13,20,21,23,24,26,27-dodecahydro-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn irritant; [Acros Organics MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29329995
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
Chemistry & industry
Uses & manufacturing
UsesUsed for laboratory research; [Sigma-Aldrich]
Applications
UsesDibenzo-24-crown-8 can be used as a molecular transporter in the formation of [1]rotaxanes with thiazolium-based mono- and tris-branched ammonium ions. It is also used as a co-solvent and phase-transfer catalyst for cesium fluoride, to the development of a more efficient anhydrous fluorinating system for organic synthesis.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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