Basic information
- CAS
5943-61-3- Standard SMILES
CCOP(=O)(CCCCCCCCP(=O)(OCC)OCC)OCC- InChIKey
BEWTYNZLBMSWOS-UHFFFAOYSA-N- Molecular formula
- C16H36O6P2
- Average molar mass
- 386.4 g/mol
Names & identifiers
- Preferred name
- Tetraethyl 1,8-octanediphosphonate
- IUPAC
- 1,8-bis(diethoxyphosphoryl)octane
- English name
- Tetraethyl (1,8-octylene)bisphosphonate
- Molecular formula
- C16H36O6P2
- Molecular weight
- 386.4
Names & synonyms
5943-61-3RefChem:896974Tetraethyl 1,8-octanediphosphonate633-115-5tetraethyl octane-1,8-diylbis(phosphonate)1,8-bis(diethoxyphosphoryl)octaneTETRAETHYLOCTANE-1,8-DIYLBIS(PHOSPHONATE)MFCD24539459Tetraethyl (1,8-octylene)bisphosphonateorb1988893C16H36O6P2AKOS040742716
Show more names
Octamethylen-bis-(diethylphosphonat)P,P,P′,P′-Tetraethyl P,P′-1,8-octanediylbis[phosphonatePhosphonic acid, P,P'-1,8-octanediylbis-, P,P,P',P'-tetraethyl ester
BP-21692DA-68068Tetraethyl 1,8-octanediylbis(phosphonate)HY-140324CS-0115731C70854T17053
Database identifiers
- CAS
5943-61-3- PubChem CID
- 77078418
- EC Number
- 633-115-5
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 17
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 333
Physicochemical properties
- Boiling point
- 468.3 · 468.3±28.0 °C(Predicted)
- Density
- 1.054 · 1.054±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications 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
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
DescriptionBUN 43613, also known as Tetraethyl octane-1,8-diylbis(phosphonate) is a non-PEG crosslinker. This product has no formal name at the moment.
UsesTetraethyl octane-1,8-diylbis(phosphonate) is an alkyl chain-based PROTAC linker that can be used in the synthesis of PROTACs[1].
Suppliers14 total
上海仲因实业有限公司2537653158 16621191650 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
吉林中科研伸科技有限公司0431-80514535 19917294565 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
安阳鸿蒙新材料有限公司0372-19588588067 19588588067 · [email protected]
西安莱茵生物科技有限公司86-(0)29-85992781 17792393971 · [email protected]
Novachemistry44-20819178-90 02081917890 · [email protected]
郑州艾克姆化工有限公司13303867194 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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