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Heptafluorobutyric acid

Heptafluorobutyric acid structure

CAS No:
375-22-4
Formula:
C4HF7O2
Chemical Name:
Heptafluorobutyric acid
Synonyms:
Butanoic acid,2,2,3,3,4,4,4-heptafluoro-;Butyric acid,heptafluoro-;Butanoic acid,heptafluoro-;2,2,3,3,4,4,4-Heptafluorobutanoic acid;Perfluorobutyric acid;Heptafluorobutyric acid;Perfluoropropanecarboxylic acid;Heptafluorobutanoic acid;Perfluorobutanoic acid;HFBA;NSC 820;Fluorad FC 23;FC 23;H 0024
Categories:
Organic Chemistry > Carboxylic Acids and Derivatives

Description

Clear colorless to faintly yellow liquid

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

Heptafluorobutyric acid Basic Attributes

Molecular Weight：

214.04

Exact Mass：

214.04

BRN：

1426882

EC Number：

206-786-3

UNII：

12VHZ8L29I

NSC Number：

820

DSSTox ID：

DTXSID4059916

HScode：

2915900090

Characteristics

PSA：

37.3

XLogP3：

3.93

Appearance：

Clear colorless to faint yellow Powder

Density：

1.651 g/cm³ @ Temp: 20 °C

Melting Point：

-17.5 °C

Boiling Point：

121 °C

Flash Point：

120-121°C

Refractive Index：

1.291

Water Solubility：

Micible with water.

Storage Conditions：

2-8°C

Vapor Pressure：

~10 mm Hg ( 25 °C)

Vapor Density：

7 (vs air)

Toxicity：

Celiac-Mouse LD50: 153 mg/kg

Flammability characteristics：

Decomposes toxic fluoride gas in case of heat; emits toxic fluoride fumes in water vapor

Collision Cross Section：

109.53 Å² [M-H-CO2]-

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 3265 8/PG 2

wgk germany：

hazard class code：

34-35

safety instructions：

26-36/37/39-45

RTECS Number：

ET4025000

Marks：

Storage features：

The warehouse is ventilated, low temperature and dry; stored and transported separately from food, oxidants and water-containing items

Hazard note：

Corrosive

Precautionary statement(s)：

P280-P305 + P351 + P338-P310

Hazard Statements：

H314

GHS Classification：

|Danger|H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]|P280, P305+P351+P338, and P310

Toxicity

Toxicity class：

highly toxic

Drug Information

MeSH：

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 and Hackh's Chemical Dictionary, 5th ed, p301, p499) (See all compounds classified as Indicators and Reagents.)

MeSH Entry Terms：

heptafluorobutyric acid

Heptafluorobutyric acid Use and Manufacturing

Uses

Ion pair reagents, protein sequencing.

Manufacturing Info：

Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-: ACTIVE

Use Classification：

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

Computed Properties

Molecular Weight:214.04
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:2
Exact Mass:213.98647640
Monoisotopic Mass:213.98647640
Topological Polar Surface Area:37.3
Heavy Atom Count:13
Complexity:217
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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