1-Bromo-3,3,4,4,5,5,6,6,6-nonafluorohexane
Basic information
- CAS
38436-14-5- Standard SMILES
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCBr- InChIKey
UDFSAZKDTBRQDY-UHFFFAOYSA-N- Molecular formula
- C6H4BrF9
- Average molar mass
- 326.99 g/mol
- Monoisotopic mass
- 325.93527
Names & identifiers
- Preferred name
- 1-Bromo-3,3,4,4,5,5,6,6,6-nonafluorohexane
- IUPAC
- 6-bromo-1,1,1,2,2,3,3,4,4-nonafluorohexane
- English name
- 1H,1H,2H,2H-Perfluorohexyl bromide
- Molecular formula
- C6H4BrF9
- Molecular weight
- 326.99
Names & synonyms
1-Bromo-3,3,4,4,5,5,6,6,6-nonafluorohexaneRefChem:430330812-971-538436-14-51H,1H,2H,2H-Perfluorohexyl bromide6-bromo-1,1,1,2,2,3,3,4,4-nonafluorohexaneMFCD00077576Hexane, 6-bromo-1,1,1,2,2,3,3,4,4-nonafluoro-starbld00188006-bromo-1,1,1,2,2,3,3,4,4-nonafluoro-hexaneSCHEMBL2495980DTXSID50371297
Show more names
Perfluorobutyl ethyl bromide2-Perfluorobutylethyl bromide1-Bromo-2-(perfluorobutyl)ethane1H,1H,2H,2H-NonafluorohexylBromide1-BROMO-1H,1H,2H,2H-PERFLUOROHEXANE1H,1H,2H,2H-Nonafluorohexyl-1-bromide3,3,4,4,5,5,6,6,6-Nonafluorohexyl bromide
UDFSAZKDTBRQDY-UHFFFAOYSA-NAKOS0160154636-Bromo-111223344-nonafluorohexaneMS-20339CS-0327493NS00110531S120661H,1H,2H,2H-Perfluorohexyl bromide; 1-Bromo-2-(perfluorobutyl)ethane
Database identifiers
- CAS
38436-14-5- PubChem CID
- 2736349
- DTXSID
DTXSID50371297- EC Number
- 812-971-5
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 243
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> OECD Category
Physicochemical properties
- Boiling point
- 93 · 93-94°C
- Density
- 1.721 · 1.721
- refractive index
- 1.331 · 1.331
- Flash point
- 31 ℃ · 31℃
- form
- liquid
- color
- Clear, colourless
- EPA Substance Registry System
- 1 H,1H,2H,2H-Perfluorohexyl · 1H,1H,2H,2H-Perfluorohexyl bromide (38436-14-5)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280-P302+P352-P362+P364
- Hazard Codes
- Xi
- Risk Statements
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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 CategoriesFlam. Liq. 3 (100%)
Safety data
- hs_code
- 2903793090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P302+P352-P362+P364
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Applications
Uses1-Bromo-3,3,4,4,5,5,6,6,6-nonafluorohexane is an intermediate used in the preparation of fluoroalkyldistannoxanes.
Upstream & downstream products
Downstream products
Suppliers
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Related reactions
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Compound notes
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