Basic information
- CAS
200862-70-0- Standard SMILES
O=C(CC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1ccc(-c2ccc(S(=O)(=O)Cl)cc2-c2ccc(C(=O)CC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc2)cc1- InChIKey
SXOYJUDQQHVGHW-UHFFFAOYSA-N- Molecular formula
- C30H15ClF14O6S
- Average molar mass
- 804.9 g/mol
- Monoisotopic mass
- 804.0054313
Names & identifiers
- Preferred name
- 4,4''-Bis(4,4,5,5,6,6,6-heptafluoro-1,3-dioxohexyl)-o-terphenyl-4'-sulfonyl chloride
- IUPAC
- 3,4-bis[4-(4,4,5,5,6,6,6-heptafluoro-3-oxohexanoyl)phenyl]benzenesulfonyl chloride
- English name
- 4,4''-Bis(4,4,5,5,6,6,6-heptafluoro-1,3-dioxohexyl)-o-terphenyl-4'-sulfonyl chloride
- Molecular formula
- C30H15ClF14O6S
- Molecular weight
- 804.93
Names & synonyms
4,4''-Bis(4,4,5,5,6,6,6-heptafluoro-1,3-dioxohexyl)-o-terphenyl-4'-sulfonyl chlorideRefChem:506355634-963-9200862-70-0BHHCTMFCD216093764,4''-Bis(4,4,5,5,6,6,6-heptafluoro-3-oxohexanoyl)-[1,1':2',1''-terphenyl]-4'-sulfonyl chloride[1,1':2',1''-Terphenyl]-4'-sulfonyl chloride, 4,4''-bis(4,4,5,5,6,6,6-heptafluoro-1,3-dioxohexyl)-SCHEMBL18425132DTXSID908933674,4''-Bis((perfluoropropyl)-1,3-dioxopropyl)-o-terphenyl-4'-sulfonyl chloride3,4-bis[4-(4,4,5,5,6,6,6-heptafluoro-3-oxohexanoyl)phenyl]benzenesulfonyl chloride
Show more names
4-Bis[4-(46-heptafluoro-1BHHCT, Fluorescent sensitizer for Eu3+- labelling3-dioxohexyl)phenyl]benzenesulfonyl chloride4,4''-BIS(4,4,5,5,6,6,6-HEPTAFLUORO-1,3-DIOXOHEXYL)-O-TERPHENYL-4'-SULFONYL CHLO34-BIS[4-(445566
Properties
Computed structural properties
- XLogP
- 9.2
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 13
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,460
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> OECD Category
Physicochemical properties
- Boiling point
- 615.9 · 615.9±55.0 °C(Predicted)
- Density
- 1.54 · 1.540±0.06 g/cm3(Predicted)
- pka
- 5.38 · 5.38±0.25(Predicted)
- EPA Substance Registry System
- 4 · 4,4''-Bis((perfluoropropyl)-1,3-dioxopropyl)-o-terphenyl-4'-sulfonyl chloride (200862-70-0)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26
- WGK Germany
- 3 · 3
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 (97.5%): 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (97.5%)
Safety data
- F
- 10-21
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Applications
UsesSensitive label for time-resolved fluoroimmunoassay via the europium chelate. 4,4''-Bis(4,4,5,5,6,6,6-heptafluoro-1,3-dioxohexyl)-o-terphenyl-4'-sulfonyl chloride can be used as ligand for TRF-complexes (with Eu3+) used for preparing Silica-Nanoparticles. This label is characterized by very large Stoke's shift, broad exitation and narrow emission bands.
Suppliers25 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]
北京阿克曼科技有限公司18001219251 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
TargetMol 中国（陶术生物）
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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