5-Bromo-4,4,5,5-tetrafluoropentanoic acid
Basic information
- CAS
234443-22-2- Standard SMILES
O=C(O)CCC(F)(F)C(F)(F)Br- InChIKey
OIIFPRVLJLLMOZ-UHFFFAOYSA-N- Molecular formula
- C5H5BrF4O2
- Average molar mass
- 252.99 g/mol
- Monoisotopic mass
- 251.9409
Names & identifiers
- Preferred name
- 5-Bromo-4,4,5,5-tetrafluoropentanoic acid
- IUPAC
- 5-bromo-4,4,5,5-tetrafluoropentanoic acid
- English name
- 5-Bromo-4,4,5,5-tetrafluoropentanoic Acid
- Molecular formula
- C5H5BrF4O2
- Molecular weight
- 252.99
Names & synonyms
5-bromo-4,4,5,5-tetrafluoropentanoic acid234443-22-2DTXSID90371317RefChem:102165DTXCID60322351638-921-0MFCD00153717Pentanoic acid, 5-bromo-4,4,5,5-tetrafluoro-5-Bromo-4,4,5,5-tetrafluoropentanoicacid5-BROMO-4,4,5,5-TETRAFLUOROPENTANOIC ACID, 97% MIN.5-bromo-4,4,5,5-tetrafluoro-pentanoic AcidSCHEMBL3698957
Show more names
AKOS005173380AS-33336SY3789515-BROMO-4,4,5,5-TETRAFLUOROPENNS000188625-Bromo-4,4,5,5-tetrafluoropentanoicacid97%5-BROMO-4,4,5,5-TETRAFLUOROPENTANOIC ACIF387681
Database identifiers
- CAS
234443-22-2- PubChem CID
- 2736377
- DTXSID
DTXSID90371317- EC Number
- 638-921-0
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 182
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> Other/unspecified
Physicochemical properties
- Boiling point
- 213.6 · 213.6±40.0 °C(Predicted)
- Density
- 1.797 · 1.797±0.06 g/cm3(Predicted)
- pka
- 4.23 · 4.23±0.10(Predicted)
- form
- Solid
- InChI
- InChI=1S/C5H5BrF4O2/c6-5(9,10)4(7,8)2-1-3(11)12/h1-2H2,(H,11,12)
- InChIKey
- OIIFPRVLJLLMOZ-UHFFFAOYSA-N
- SMILES
- C(O)(=O)CCC(F)(F)C(Br)(F)F
- EPA Substance Registry System
- 5 · 5-Bromo-4,4,5,5-tetrafluoropentanoic acid (234443-22-2)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P271-P280
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
Danger
H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P337+P317, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (50%)
Safety data
- hs_code
- 2915907098
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_class
- IRRITANT
- Hazard statements
- H314
- Precautionary statements
- P260-P271-P280
Chemistry & industry
Applications
Uses5-Bromo-4,4,5,5-tetrafluoropentanoic Acid is a halogenated carboxylic acid compound with the common physical and chemical properties of alkyl carboxylic acid compounds. It can undergo esterification reaction with alcohol compounds under acidic conditions, and can also undergo condensation reaction with organic amines to obtain corresponding amide derivatives.
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Related reactions
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Compound notes
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