Basic information
- CAS
128454-94-4- Standard SMILES
FC(F)(F)C(F)(F)C(F)(F)C(C=CBr)(C(F)(F)F)C(F)(F)F- InChIKey
KVLSPRHWDKLGCE-UHFFFAOYSA-N- Molecular formula
- C8H2BrF13
- Average molar mass
- 424.98 g/mol
- Monoisotopic mass
- 423.91323
Names & identifiers
- Preferred name
- 1-Bromo-4,4,5,5,6,6,6-heptafluoro-3,3-bis(trifluoromethyl)hex-1-ene
- IUPAC
- 1-bromo-4,4,5,5,6,6,6-heptafluoro-3,3-bis(trifluoromethyl)hex-1-ene
- English name
- 1-Bromo-4,4,5,5,6,6,6-heptafluoro-3,3-bis(trifluoromethyl)hex-1-ene
- Molecular formula
- C8H2BrF13
- Molecular weight
- 424.98
Names & synonyms
128454-94-41-bromo-4,4,5,5,6,6,6-heptafluoro-3,3-bis(trifluoromethyl)hex-1-eneDTXSID00371287RefChem:228523DTXCID10322321C8H2BrF13DB-363453NS001087851-bromo-4,4,5,5,6,6,6-heptafluoro-3,3-bis(trifluoromethyl)-1-hexene3,3-Bis(trifluoromethyl)-1-bromo-4,4,5,5,6,6,6-heptafluorohex-1-ene1-Hexene, 1-bromo-4,4,5,5,6,6,6-heptafluoro-3,3-bis(trifluoromethyl)-(E)-1-bromo-4,4,5,5,6,6,6-heptafluoro-3,3-bis(trifluoromethyl)-1-hexene
Show more names
(Z)-1-bromo-4,4,5,5,6,6,6-heptafluoro-3,3-bis(trifluoromethyl)hex-1-ene
Database identifiers
- CAS
128454-94-4- PubChem CID
- 2736337
- DTXSID
DTXSID00371287- EC Number
- 671-808-4
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 409
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> OECD Category
Physicochemical properties
- Boiling point
- 120.2 · 120.2±40.0 °C(Predicted)
- Density
- 1.781 · 1.781±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 1 · 1-Bromo-4,4,5,5,6,6,6-heptafluoro-3,3-bis(trifluoromethyl)hex-1-ene (128454-94-4)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- HS Code
- 2903793090 · 2903793090
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
- 2903793090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Upstream & downstream products
Upstream raw materials
Suppliers10 total
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]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
中科双航化学（大连）有限公司+86-411-66858498 13941194417 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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