678-26-2

Basic information

• Product Name: Pentane,1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoro-
• Synonyms: Pentane,dodecafluoro- (6CI,7CI,8CI,9CI);Dodecafluoropentane;FC 87;Fluorinert FC 87;Fluorinert PF 5050;Flutec PP 50;PF 5050;PFC 41-12;Perflenapent;Perfluoro-n-pentane;Perfluoropentane;QW 7437;R 41(12);R-4112
• CAS NO: 678-26-2
• Molecular Formula: C₅F₁₂
• Molecular Weight: 288.0343
• EINECS: 211-647-5
• Product Categories: organofluorine compounds
• Mol File: 678-26-2.mol
• Article Data: 20

Chemical Properties

• Melting Point: -120°C
• Boiling Point: 29.3 °C at 760 mmHg
• Flash Point: 29°C
• Appearance: /
• Density: 1.63 g/cm³
• Vapor Pressure: 651mmHg at 25°C
• Refractive Index: 1.241
• Stability: store cold
• BRN: 1712388
• CAS DataBase Reference: Pentane,1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoro-(CAS DataBase Reference)
• NIST Chemistry Reference: Pentane,1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoro-(678-26-2)
• EPA Substance Registry System: Pentane,1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoro-(678-26-2)

Safety Data

• Hazard Codes: F,Xi
• Statements: 36/37/38
• Safety Statements: S23:Do not inhale gas/fumes/vapour/spray.; S9:Keep container in a well-ventilated place.
• RIDADR: 2810
• RTECS: RZ9890000
• HazardClass: 6.1(b)
• PackingGroup: III
• Hazardous Substances Data: 678-26-2(Hazardous Substances Data)

Usage

Description

Pentane,1,1,1,2,2,3,3,4,4,5,5,5-dodecafluorois a perfluorinated hydrocarbon compound with the chemical formula C5F12. It is a colorless, odorless, and non-toxic liquid at room temperature. Due to its unique chemical structure, it exhibits properties such as high thermal stability, low toxicity, and excellent solubility in various solvents. These characteristics make it a versatile compound with a wide range of applications in different industries.

Uses

Used in Diagnostic Aids:
Pentane,1,1,1,2,2,3,3,4,4,5,5,5-dodecafluorois used as a diagnostic aid for medical imaging. The expression is: Pentane,1,1,1,2,2,3,3,4,4,5,5,5-dodecafluorois used as a contrast agent for enhancing the visualization of blood vessels and other internal structures during diagnostic imaging procedures.
Used in Theranostics:
Pentane,1,1,1,2,2,3,3,4,4,5,5,5-dodecafluorois used in the production of bubble formulations for theranostics. The expression is: Pentane,1,1,1,2,2,3,3,4,4,5,5,5-dodecafluorois used as a component in bubble formulations for improving the targeting and delivery of therapeutic agents to specific tissues or organs.
Used in EchoGen Emulsion:

InChI:InChI=1/C5F12/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)17

Upstream product

• 108-47-4 2,4-lutidine 
• 58583-90-7 methyl 2-piperidylacetate 
• 5927-67-3 decafluoro-1,2-epoxycyclohexane 
• 94412-75-6 2,2,3,4,4,4-hexafluoro-1-methyl butyl ethyl ether 
• 14352-61-5 methyl cyclohexylacetate 
• 4300-02-1 methyl 3-cyclopentyl propionate 
• 122958-11-6 (+/-)-3-(1-piperidinyl)butyric acid methyl ester 
• 110-86-1 pyridine 
• 72804-49-0 perfluoro-2-pentene 
• 930-28-9 cyclopentyl chloride 
• 23573-93-5 methyl 3-(piperidino)propionate 
• 116-15-4 perfluoropropylene 
• 373-80-8 trifluoromethyl sulfur pentafluoride 
• 7782-41-4 fluorine 

Downstream Products

• 75-72-9 chlorotrifluoromethane 
• 75-71-8 Dichlorodifluoromethane 
• 76-15-3 Chloropentafluoroethane 
• 76-19-7 freon-218 
• 116-15-4 perfluoropropylene 
• 76-16-4 Hexafluoroethane 
• 382-21-8 perfluoroisobutylene 

Relevant articles and documents

Improvements in or relating to contrast agents

Combined preparations comprising an injectable gas dispersion and a coadministrable diffusible component which is capable of inward diffusion into the dispersed gas so as to promote temporary growth of the gas in vivo, the preparations being for use as contrast agents in ultrasound cardiac studies of patients who have undergone physical exercise-induced stress in order to promote vasodilatation.

Electrochemical fluorination of hexahydroazepine, methylpiperidines and methyl 1-hexahydroazepine-acetate: The preparation of F-(1-hexahydroazepine-acetyl fluoride) and its derivatives

The electrochemical fluorination of hexahydroazepine (1), methylpiperidines (2) [2-methylpiperidine (2a), 3-methylpiperidine (2b), 4-methylpiperidine (2c)] and methyl 1-hexahydroazepine-acetate (3) was examined. An extensive cleavage of the C-N bond occurred in the fluorination of secondary cyclic amines (1, 2a-c) resulting in only a small yield of the corresponding F-(N-fluoro cyclic amines). F-(1-hexahydroazepine-acetyl fluoride) (4) was obtained in a fair yield from the fluorination of 3 along with F-[(methylpiperidino)-acetylfluoride] which was formed as a result of the isomerization of 3 during fluorination. In addition, several derivatives of 4 were synthesized. F-(1-iodomethyl-hexahydroazepine) (4a) was prepared by the reaction of 4 with anhydrous LiI. The compound 4 was converted into its potassium salt (4c) via methyl F-(1-hexahydroazepine-acetate) (4b), which upon pyrolysis in the presence or absence of ethylene glycol resulted in the formation of 1-difluoromethyl-dodecafluoro(hexahydroazepine) (4d) and F-(3,4,5,6-tetrahydroazepine) (4e), respectively. F-(1-hexahydroazepine-acetoamide) (4f), F-(1-hexahydroazepine-acetonitrile) (4g) and corresponding p-methoxyanilide (4h) were also derived from 4.