ChemicalBook--->CAS DataBase List--->1478-61-1

1478-61-1

1478-61-1 Structure

1478-61-1 Structure
IdentificationMore
[Name]

Hexafluorobisphenol A
[CAS]

1478-61-1
[Synonyms]

2,2-BIS(4-HYDROXYPHENYL)HEXAFLUOROPROPANE
4,4'-(HEXAFLUOROISOPROPYLIDENE)DIPHENOL
4,4'-(HEXAFLUOROISOPROPYLIDENE)DIPHEOL
BIS-AF
BISPHENOL AF
BISPHENOL A HEXAFLUORIDE
DAIKIN YZ0001
HEXAFLUOROACETONE BISPHENOL
HEXAFLUOROBISPHENOL A
HEXAFLUOROISOPROPYLIDENEBIS(4-HYDROXYBENZENE)
LABOTEST-BB LT00847967
TIMTEC-BB SBB001375
2,2-bis(4-hydroxy-phenyl)-1,1,1,3,3,3-hexafluoropropane
3,3’-(hexafluoroisopropylidene)diphenol
4,4’-(2,2,2-trifluoro-1-(trifluoromethyl)ethylidene)bis-pheno
4,4’-(bis(trifluoromethyl)methylene)di-Phenol
4,4’-(trifluoro-1-(trifluoromethyl)ethylidene)di-pheno
4,4’-(trifluoro-1-(trifluoromethyl)ethylidene)diphenol
4,4’-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis-pheno
4,4’-[2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]bisphenol
[EINECS(EC#)]

216-036-7
[Molecular Formula]

C15H10F6O2
[MDL Number]

MFCD00000439
[Molecular Weight]

336.23
[MOL File]

1478-61-1.mol
Chemical PropertiesBack Directory
[Appearance]

white to off-white powder
[Melting point ]

160-163 °C(lit.)
[Boiling point ]

400°C
[density ]

1.3837 (estimate)
[vapor pressure ]

0Pa at 20℃
[Fp ]

>100°C
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

neat
[pka]

8.74±0.10(Predicted)
[color ]

White to Pale Beige
[Water Solubility ]

Insoluble in water.
[BRN ]

1891568
[Henry's Law Constant]

1.7×104 mol/(m3Pa) at 25℃, HSDB (2015)
[Major Application]

cleaning products
cosmetics
food and beverages
personal care
[InChI]

1S/C15H10F6O2/c16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10/h1-8,22-23H
[InChIKey]

ZFVMWEVVKGLCIJ-UHFFFAOYSA-N
[SMILES]

Oc1ccc(cc1)C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F
[LogP]

2.79 at 20℃
[CAS DataBase Reference]

1478-61-1(CAS DataBase Reference)
[EPA Substance Registry System]

1478-61-1(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

2
[RTECS ]

SN2780000
[Hazard Note ]

Corrosive
[TSCA ]

Yes
[REACH Registrations]

Active
[HS Code ]

29081990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
[Hazardous Substances Data]

1478-61-1(Hazardous Substances Data)
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Hexafluorobisphenol A(1478-61-1).msds
Hazard InformationBack Directory
[Hazard]

Moderately toxic by ingestion.
[Chemical Properties]

white to off-white powder
[Uses]

fluororubber crosslinking agent
[Uses]

Hexafluorobisphenol A acts as an endocrine-disrupting chemical (EDC), activating estrogen through the estrogen receptor ERα. It is a full agonist for the estrogen receptor.
[Uses]

Hexafluorobisphenol A mainly is used for fluorine rubber vulcanization accelerator FF34 with fluorine rubber, vulcanized permanent deformation resistance, tensile strength is high; but also can be used as pharmaceutical intermediates.
[Definition]

ChEBI: An organofluorine compound that is bisphenol A with its methyl hydrogens replaced by fluorines.
[Flammability and Explosibility]

Notclassified
[Synthesis]

Hexafluoroacetone

684-16-2

Phenol

108-95-2

Bisphenol AF

1478-61-1

To a 500mL stainless steel autoclave equipped with a stirrer, gas introduction valve, thermocouple, manometer and siphon tube was added 75.2 g (0.80 mol) of molten phenol and cooled in an ice bath. When the internal temperature dropped below 10°C, an appropriate amount (12.05 mol) of HF was added, followed by 106.3 g (0.64 mol) of hexafluoroacetone (HFA) (the molar ratio of HFA to phenol was 0.8 and the molar ratio of HF to phenol was 15). The autoclave was sealed, stirred and heated up to 100 °C, and the reaction was maintained at this temperature for 2 hours. Upon completion of the reaction, analysis showed 96.2% of the target product 2,2-bis(4-hydroxyphenyl)hexafluoropropane (bisphenol AF) in the reaction solution (organic phase), with the remaining components being 0.1% phenol, 0.1% intermediate 2-(4-hydroxyphenyl)hexafluoropropan-2-ol, 2.9% intermediate isomer 2-(2-hydroxyphenyl)hexafluoropropan-2-ol, 0.4% bisphenol AF isomer, 0.2% HFA adduct of bisphenol AF and 0.1% other impurities. After the reaction, the autoclave was cooled to below 30 °C in an ice bath, and 388.4 g of the reaction solution was transferred to a HFA/HF recovery tower condenser pre-cooled to -15 °C using nitrogen pressure through a pipe connecting the outlet of the autoclave siphon and the bottom liquid transfer valve (capacity: 500 mL) to prevent the escape of HFA and HF. After the transfer was complete, the autoclave was removed and the bottom of the recovery tower was heated with a 40°C oil bath. After about 20 minutes, full reflux of the HFA/HF mixture was started, at which time the temperature at the bottom was 25.2°C and the temperature at the top of the tower was 16.9°C. After 30 minutes of full reflux, extraction was started at a reflux ratio (reflux:distillation = 10 s:5 s), keeping the temperature at the top of the tower below 20 °C. During extraction, the oil bath temperature was increased to 50°C at a rate of 5°C/30 min. When the bottom temperature reached 42°C, HFA/HF recovery was stopped, the extraction was completed, the oil bath was removed, and the bottom was cooled to below 20°C in an ice bath. After cooling, the bottom residue was transferred by nitrogen pressure to a polyethylene vessel containing 900 g of water to precipitate the solids. The precipitate was filtered and washed twice with about 450 g of water to give bisphenol AF with a purity of 99.1%.After drying, the yield of bisphenol AF was 95.0%. The recovered distillate weighed 179.0 g and was analyzed to show the presence of 147.8 g of HF and 32.3 g of HFA, with 66.7% recovery of HF and 84.8% recovery of HFA based on the initial addition. The COD value of the wash water was determined to be 9413 mg/L according to JIS K 0102.

[References]

[1] Patent: JP5668319, 2015, B2. Location in patent: Paragraph 0021; 0042-0056
[2] Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), 1960, # 4, p. 647 - 653
[3] Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1960, # 4, p. 686 - 692
[4] Journal of the American Chemical Society, 2007, vol. 129, # 44, p. 13691 - 13697
Spectrum DetailBack Directory
[Spectrum Detail]

Hexafluorobisphenol A(1478-61-1)MS
Hexafluorobisphenol A(1478-61-1)1HNMR
Hexafluorobisphenol A(1478-61-1)IR1
Hexafluorobisphenol A(1478-61-1)IR2
Hexafluorobisphenol A(1478-61-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4,4'-(Hexafluoroisopropylidene)diphenol, 97%(1478-61-1)
[Alfa Aesar]

4,4'-(Hexafluoroisopropylidene)diphenol, 98%(1478-61-1)
[Sigma Aldrich]

1478-61-1(sigmaaldrich)
[TCI AMERICA]

2,2-Bis(4-hydroxyphenyl)hexafluoropropane,>98.0%(GC)(1478-61-1)
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