Heptafluorbuttersure

Heptafluorobutyric acid

HCID 9777CAS 375-22-4
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Grundinformationen

Standard-SMILES
O=C(O)C(F)(F)C(F)(F)C(F)(F)F
InChIKey
YPJUNDFVDDCYIH-UHFFFAOYSA-N
Summenformel
C4HF7O2
Durchschnittliche Molmasse
214,04 g/mol
Monoisotopische Masse
213,98647681

Überblick

Perfluorobutyric acid is a monocarboxylic acid that is perfluorinated butyric acid. It has a role as a xenobiotic, a chromatographic reagent and an environmental contaminant. It is functionally related to a butyric acid.

Namen und Bezeichner

Bevorzugter Name
Heptafluorobutyric acid
IUPAC
2,2,3,3,4,4,4-heptafluorobutanoic acid
Lokaler Name
Heptafluorbuttersure
Englischer Name
Heptafluorobutyric acid
Summenformel
C4HF7O2
Molmasse
214.04

Namen und Synonyme

Heptafluorobutyric acid375-22-4Perfluorobutyric acidHeptafluorobutanoic acidHeptafluoro-1-butanoic acidPerfluoropropanecarboxylic acidBUTYRIC ACID, HEPTAFLUORO-Kyselina heptafluormaselna12VHZ8L29INSC-820CHEBI:39426H-0024
Weitere Namen anzeigen
Perfluorobutanoic acid2,2,3,3,4,4,4-Heptafluorobutanoic acidPERFLUOROBUTYRATEheptafluorobutanoicacidTIMTEC-BB SBB008777PerfluorobutanoicaidHEPTAFLUOROBUTYRC ACIDFC-23
heptafluorobutanoatatoRefChem:860240PFBA perfluorobutanoic acidperfluorobutyric acid, sodium saltperfluorobutyric acid, potassium saltperfluorobutyric acid, silver (1+) salt206-786-3HFBA

Datenbank-Bezeichner

CAS
375-22-4
PubChem CID
9777
DTXSID
DTXSID4059916
ChEMBL
CHEMBL367680
ChEBI
CHEBI:39426
UNII
12VHZ8L29I
EC Number
206-786-3
Nikkaji
J42.917A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,2
Polarare Oberfläche (TPSA)
37,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
9
Frei drehbare Bindungen
2
Schwere Atome
13

Experimentelle und physikochemische Eigenschaften

Chemical Classes · 3 Einträge

Other Classes -> Perfluoroalkyl Acids

Ionic Liquids

Ionic Liquids -> Fluorinated Ionic Liquids

PFAS · 6 Einträge

PFAS -> Perfluorocarboxylic acids

PFAS -> OECD Category

PFAS

PFAS -> PFcarboxylic acids (PFCA)

PFAS -> Other/unspecified

PFAS

SpringerMaterials Properties19F nuclear magnetic resonance spectrum
PesticidesPesticide -> EPA IRIS
Density1.645 @25 °C
Boiling Point120.8 °C @760 [mm Hg]

Physikochemische Eigenschaften

Schmelzpunkt
-17.5 °C · -17.5 °C
Siedepunkt
120 °C755 · 120 °C755 mm Hg(lit.)
Dichte
1.645 g/mL · 1.645 g/mL at 25 °C(lit.)
Dampfdichte
7 · 7 (vs air)
Dampfdruck
10 mm · ~10 mm Hg ( 25 °C)
Brechungsindex
20 · n20/D 1.3(lit.)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 0.6% (1 of 171) of reports.

Danger

H314 (99.4%): 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+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 171 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Butanoic acid, heptafluoro-

Hazard Traits - Hazard Trait Undefined

Perfluorobutyric acid: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Short-chain perfluorocarboxylic acids and their direct precursors: Environment tier II assessment
Hazards Summary · 1 Eintrag

Corrosive to skin and eyes; [eChemPortal: ERMA] A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis; [MSDSonline] See Perfluorooctanoic acid. See Perfluorooctane sulfonic acid.

Hazard Classes and Categories · 3 Einträge

Skin Corr. 1A (99.4%)

Eye damage - category 1

Reproductive toxicity - Category 2

Sicherheit und Schutzausrüstung

Protective Action Criteria (PAC) · 3 Einträge

0.37 [mg/m3]

4.0 [mg/m3]

24 [mg/m3]

Toxikologische Informationen

Target OrgansDevelopmental
Adverse EffectsDermatotoxin - Skin burns.
EPA IRIS Information · 3 Einträge

Perfluorobutanoic Acid (PFBA)

Developmental

1 x 10 ^-3 mg/kg-day

RAIS Toxicity Values · 4 Einträge

0.001

IRIS Current

0.006

IRIS Current

USGS Health-Based Screening Levels for Evaluating Water-Quality · 4 Einträge

Perfluorobutanoic acid (PFBA)

PFAS

6

Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP

Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06 · 6 Einträge

7.80e+01

1.20e+03

1.80e+01

(G)

6.50e-03

1.00e-03

Sicherheitsdaten

F
3-8-10
wgk
3
tsca
TSCA listed
ridadr
UN 3265 8/PG 2
hs_code
29159000
RTECS-Nr.
ET4025000

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 1 Eintrag

Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)

Verwendung und Herstellung

Uses · 3 Einträge

Perfluorocarboxylic acids include Perfluoroacetic, Perfluoropropionic, Perfluorobutyric, Perfluorovaleric, Perfluorocaproic, Perfluoroheptanoic, Perfluorocaprylic, Perfluorononanoic, Perfluorocapric, Perfluoroundecanoic, and Perfluorododecanoic acid; These long-chain perfluoroalkanecarboxylic acids and their salts are used as wetting, dispersing, emulsifying, and foaming agents. They greatly reduce surface tension in aqueous solutions. [Ullmann]

non-polymer PFAS -> Paper and packaging -> Food-contact articles

• Antistatic protective photographic layers [Ref: CAS2019 (DE1961638)]

Use Classification · 2 Einträge

PFAS -> PFcarboxylic acids (PFCA)

PFAS (per- and polyfluoroalkyl substances) -> OECD Category

General Manufacturing InformationButanoic acid, 2,2,3,3,4,4,4-heptafluoro-: ACTIVE
Anwendungen · 1 Eintrag

VerwendenHeptafluorobutyric acid (HBFA) has been used widely for purifying neuropeptides because of its excellent resolution. The use of heptafluorobutyric acid as a volatile ion-pair reagent in the high-performance liquid chromatographic isolation of SB-223070 John K. Heptafluorobutyric acid is a strong acid and ion-pairing agent that is used in analytical chemistry, notably in HPLC and in gas chromatography/mass spectrometry (GC/MS), in a similar manner to trifluoroacetic acid (TFA). The strong acidity of HFBA ensures that other acidic groups such as carboxylic acid moieties on biomolecules remain protonated, and thus the biomolecule samples are able to interact with organic solvents in such processes as reverse phase chromatography. The longer alkyl chain of HFBA makes it more hydrophobic than TFA, and thus HFBA can be utilized with more hydrophobic samples. HFBA (0.1%) has been used in the mobile phase of an HPLC/LC-MS protocol for the detection of marine bacterioplankton sideophores.A study of the effects of various acids, including HFBA, on the resolution of intact proteins by reversed-phase LC/ESI-MS has been published.A modified version of the peptide ladder sequencing technique that incorporates allyl isothiocyanate and HFBA has been reported.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海恩氟佳科技有限公司15800445152 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海比阳实业有限公司+86-21-52699951; +8613917686115 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A monocarboxylic acid that is perfluorinated butyric acid.

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