7-Chloro-perfluoroheptanoic acid
Basic information
- CAS
1550-24-9- Standard SMILES
O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl- InChIKey
WMFYUMIVMKSLSX-UHFFFAOYSA-N- Molecular formula
- C7HClF12O2
- Average molar mass
- 380.51 g/mol
- Monoisotopic mass
- 379.9473449
Names & identifiers
- Preferred name
- 7-Chloro-perfluoroheptanoic acid
- IUPAC
- 7-chloro-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoic acid
- English name
- 7-Chloroperfluoroheptanoic acid
- Molecular formula
- C7HClF12O2
- Molecular weight
- 380.52
Names & synonyms
1550-24-97-Chloro-perfluoroheptanoic acidDTXSID10371495RefChem:310672DTXCID703225297-Chloroperfluoroheptanoic acid7-CHLOROPERFLUOROHEPTANOICACID7-chlorododecafluoroheptanoic acid7-chloro-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoic acidMFCD00153749Heptanoic acid, 7-chloro-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-ClPFLCAs_i n=6
Show more names
C7HClF12O2SCHEMBL648584WMFYUMIVMKSLSX-UHFFFAOYSA-N7-chloro-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-heptanoic AcidAKOS003791311DB-264072NS00074676H42611
Database identifiers
- CAS
1550-24-9- PubChem CID
- 2736634
- DTXSID
DTXSID10371495
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 458
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS (Cl-substituted perfluoroalkyl (linear) carboyxlic acids_i, n=6)
Physicochemical properties
- Melting point
- 42 · 42-43°C
- Boiling point
- 195 · 195-198°C
- Density
- 1.763 · 1.763±0.06 g/cm3(Predicted)
- pka
- 0.52 · 0.52±0.10(Predicted)
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302+H312+H332-H314
- Precautionary statements
- 260 · P260-P301+P312-P301+P330+P331
- Hazard Codes
- C,Xi
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 3261 · 3261
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- ridadr
- 3261
- hs_code
- 2915907098
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- C,Xi
- hazard_note
- Corrosive/Irritant
- safety_code
- 26-36/37/39
- Hazard statements
- H302+H312+H332-H314
- Precautionary statements
- P260-P301+P312-P301+P330+P331
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (Cl-substituted perfluoroalkyl (linear) carboyxlic acids_i, n=6)
Applications
Uses7-Chlorododecafluoroheptanoic Acid is a useful reagent in investigating the reactions of tris(α,α,ω-trichloroperfluoroalkyl) phosphates.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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