Basic information
- CAS
2706-90-3- Standard SMILES
O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
CXZGQIAOTKWCDB-UHFFFAOYSA-N- Molecular formula
- C5HF9O2
- Average molar mass
- 264.05 g/mol
- Monoisotopic mass
- 263.98328325
Overview
Perfluoropentanoic acid is a monocarboxylic acid that is perfluorinated pentanoic acid. It has a role as a xenobiotic and an environmental contaminant. It is functionally related to a valeric acid.
Names & identifiers
- Preferred name
- Perfluoropentanoic acid
- IUPAC
- 2,2,3,3,4,4,5,5,5-nonafluoropentanoic acid
- English name
- Perfluoropentanoic acid
- Molecular formula
- C5HF9O2
- Molecular weight
- 264.05
Names & synonyms
Perfluoropentanoic acid2706-90-3Perfluorovaleric acidnonafluoropentanoic acid2,2,3,3,4,4,5,5,5-Nonafluoropentanoic acidValeric acid, nonafluoro-Nonafluoro-1-pentanoic acidDTXSID6062599LUW3UY784PNSC-18404Pentanoic acid, 2,2,3,3,4,4,5,5,5-nonafluoro-CHEBI:83491
Show more names
Perfluoropentanoicacid,97%NSC 18404IPC-PFFA-5uoropentanoic acidRARECHEM AL BO 2315n-perfluoropentanoic
RefChem:860287PFPeA perfluoropentanoic acidDTXCID9037612220-300-7Nonafluorovaleric acidPentanoic acid, nonafluoro-n-Perfluoropentanoic acidPFPeA
Database identifiers
- CAS
2706-90-3- PubChem CID
- 75921
- DTXSID
DTXSID6062599- ChEMBL
CHEMBL173263- ChEBI
CHEBI:83491
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 291
Experimental & physicochemical properties
Chemical Classes
Ionic Liquids -> Fluorinated Ionic Liquids
Ionic Liquids
PFAS
PFAS -> Perfluorocarboxylic acids
PFAS -> Other/unspecified
PFAS
PFAS -> Perfluoroalkyl acids (PFAAs)
PFAS -> PFcarboxylic acids (PFCA)
PFAS (C5HF9O2)
Collision Cross Section
117.4 Ų [M-H-CO2]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: PFAS]
179.96 Ų [2M-H]-
Physicochemical properties
- Boiling point
- 140 °C · 140 °C(lit.)
- Density
- 1.713 g/mL · 1.713 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.294(lit.)
- Flash point
- 140 °C · 140°C
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- 10 mg/mlDMSO: · DMF: 10 mg/mlDMSO: 10 mg/mlEthanol: 10 mg/mlPBS (pH 7.2): 1 mg/ml
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (98.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 52 reports by companies from 4 notifications to the ECHA C&L Inventory.
Danger
H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]
Hazard information
Regulatory Information
Chemical: Pentanoic acid, nonafluoro-
Hazard Traits - Hazard Trait Undefined
Other Safety InformationIMAP assessments - Short chain perfluorocarboxylic acids and their direct precursors: Human health tier II assessment
Hazard Classes and Categories
Skin Corr. 1C (98.1%)
Eye damage - category 1
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3265 8/PG 2
- hs_code
- 29159000
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS08
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 26-36/37/39-45
Chemistry & industry
Uses & manufacturing
Uses
non-polymer PFAS -> Coatings, Paints and Varnishes -> Coatings in general
• Use in antireflective undercoat layer for lithography [Ref: CAS2019 (JP2000221689)]
Use Classification
PFAS (per- and polyfluoroalkyl substances) -> OECD Category
PFAS -> PFcarboxylic acids (PFCA)
General Manufacturing InformationPentanoic acid, 2,2,3,3,4,4,5,5,5-nonafluoro-: ACTIVE
Applications
UsesPerfluoropentanoic acid is a short-chain perfluorocarboxylic acid (PFCA) generally used as an industrial surfactant and surface protector.
General DescriptionPerfluoropentanoic acid, also known as nonafluoropentanoic acid, is a monocarboxylic acid that can be utilized as a surfactant, surface protector, stain repellent, fire-fighting foam,emulsifier, and also in the production of fluoropolymers.
Upstream & downstream products
Upstream raw materials
Related reactions
5 records
Compound notes
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