HuagongsheHuagongshe Chemistry Print Report · For research reference only
Perfluoropentanoic acid
PERFLUOROVALERIC ACID · 2,2,3,3,4,4,5,5,5-Nonafluoropentanoic acid · Perfluoropentanoicacid,97% · Pentanoic acid, nonafluoro- · NSC 18404 · IPC-PFFA-5 · uoropentanoic acid · RARECHEM AL BO 2315
Identifiers & Physical Properties
| CAS No. | 2706-90-3 |
|---|---|
| Molecular formula | C5HF9O2 |
| Average molar mass | 264.05 g/mol |
| Monoisotopic mass | 263.98328325 g/mol |
| SMILES | O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |
| InChIKey | CXZGQIAOTKWCDB-UHFFFAOYSA-N |
| PubChem CID | 75921 |
| ChEMBL | CHEMBL173263 |
| ChEBI | CHEBI:83491 |
| EC No. | 220-300-7 |
| DTXSID | DTXSID6062599 |
Chemical & Physical Properties
| XLogP | 2.9 |
|---|---|
| Topological polar surface area | 37.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 11 |
| Rotatable bonds | 3 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 291 |
| Chemical classes | Ionic Liquids -> Fluorinated Ionic Liquids |
| PFAS | PFAS -> Perfluorocarboxylic acidsPFAS -> Other/unspecifiedPFAS -> Perfluoroalkyl acids (PFAAs)PFAS -> PFcarboxylic acids (PFCA)PFAS (C5HF9O2) |
| Collision Cross Section | 117.4 Ų [M-H-CO2]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: PFAS]179.96 Ų [2M-H]- |
| Boiling point | 140 °C(lit.) |
| Density | 1.713 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.294(lit.) |
| Flash point | 140°C |
| Storage conditions | Inert atmosphere,Room Temperature |
| Solubility | DMF: 10 mg/mlDMSO: 10 mg/mlEthanol: 10 mg/mlPBS (pH 7.2): 1 mg/mlPartly soluble in water. |
| Physical state | Liquid |
| pKa (acidity coefficient) | 0.40±0.10(Predicted) |
| Color | Clear light yellow to light brown |
| Specific gravity | 1.713 |
| BRN | 1800087 |
| Henry's law constant | 6.7×10-1 mol/(m3Pa) at 25℃, Kwan (2001) |
| Stability | Stable. Incompatible with strong oxidizing agents. |
| InChI | InChI=1S/C5HF9O2/c6-2(7,1(15)16)3(8,9)4(10,11)5(12,13)14/h(H,15,16) |
| InChIKey | CXZGQIAOTKWCDB-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |
| CAS DataBase Reference | 2706-90-3(CAS DataBase Reference) |
| FDA UNII | LUW3UY784P |
| EPA Substance Registry System | Perfluorovaleric acid (2706-90-3) |
| UNSPSC Code | 41116107 |
| NACRES | NA.24 |
| GHS pictogram | GHS05,GHS08 |
| Signal word | Danger |
| GHS hazard statements | H318-H361d |
| GHS precautionary statements | P201-P202-P280-P305+P351+P338-P308+P313-P405 |
| Personal protective equipment (PPE) | Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter |
| Hazard symbols | C |
| Risk statements (R) | 34 |
| Safety statements (S) | 26-36/37/39-45 |
| UN transport number | UN 3265 8/PG 2 |
| Water hazard class (WGK) | 3 |
| Hazard Note | Corrosive |
| TSCA inventory status | TSCA listed |
| Hazard class | 8Eye Dam. 1Repr. 2 |
| Packing group | III |
| Customs code | 29159000 |
| Storage class | 10 - Combustible liquids |
Safety & Regulations
| GHS classification | DangerH314 (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.H318: Causes serious eye damage [Danger Serious eye damage/eye irritation] |
|---|---|
| Regulatory information | Chemical: Pentanoic acid, nonafluoro-Hazard Traits - Hazard Trait Undefined |
| Other safety information | IMAP 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 |
| Personal protective equipment (PPE) | Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| UN transport number | UN 3265 8/PG 2 |
| Customs code | 29159000 |
| Risk statements (R) | 34 |
| Signal word | Danger |
| GHS pictogram | GHS05,GHS08 |
| Hazard symbols | C |
| hazard_note | Corrosive |
| Safety statements (S) | 26-36/37/39-45 |
| Hazard class | 8Eye Dam. 1Repr. 2 |
| Storage class | 10 - Combustible liquids |
| Packing group |
Applications & Uses
Uses
Perfluoropentanoic acid is a short-chain perfluorocarboxylic acid (PFCA) generally used as an industrial surfactant and surface protector.
General Description
Perfluoropentanoic 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.