Basic information
- CAS
330562-45-3- Standard SMILES
FC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)Br- InChIKey
JPQGQPTZDXLRAY-UHFFFAOYSA-N- Molecular formula
- C6BrF13O3
- Average molar mass
- 446.95 g/mol
- Monoisotopic mass
- 445.88232
Names & identifiers
- Preferred name
- 1-Bromoperfluoro-2,5,8-trioxanonane
- IUPAC
- 1-[2-[bromo(difluoro)methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethane
- English name
- Perfluoro-2,5,6-trioxanonyl bromide
- Molecular formula
- C6BrF13O3
- Molecular weight
- 446.95
Names & synonyms
330562-45-31-Bromoperfluoro-2,5,8-trioxanonane1-[2-[bromo(difluoro)methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethaneMFCD03094295Perfluoro-2,5,8-trioxanonyl bromide1-[Bromo(difluoro)methoxy]-1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethane1-(bromodifluoromethoxy)-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy)ethanePERFLUORO-2,5,6-TRIOXANONYL BROMIDESCHEMBL6286566DTXSID90375113JPQGQPTZDXLRAY-UHFFFAOYSA-NAKOS015833844
Show more names
1-Bromoperfluoro-2,5,8-trioxanonane 98%Ethane, 1-[2-(bromodifluoromethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)- (9CI)
DB-048330CS-0451139NS001119061-[2-[bromo(difluoro)methoxy]-1,1,2,2-tetrafluoro-ethoxy]-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethane1-[Bromodi(fluoro)methoxy]-1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethane
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 418
Experimental & physicochemical properties
PFAS
PFAS -> OECD Category
PFAS -> Other/unspecified
Physicochemical properties
- Boiling point
- 100 · 100
- Density
- 1.935 · 1.935±0.06 g/cm3(Predicted)
- CAS DataBase Reference
- 330562 · 330562-45-3(CAS DataBase Reference)
- EPA Substance Registry System
- 1 · 1-[Bromo(difluoro)methoxy]-1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethane (330562-45-3)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 302 · P302+P352-P304+P340-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 29037800
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Suppliers14 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
常州新氟化学有限公司0519-85528066; 13275212658 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
Shanghai Daken Advanced Materials Co.,Ltd+86-2158073036 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
广东翁江化学试剂有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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