ChemicalBook--->CAS DataBase List--->1171-47-7

1171-47-7

1171-47-7 Structure

1171-47-7 Structure
IdentificationMore
[Name]

2,2-BIS(4-CARBOXYPHENYL)HEXAFLUOROPROPANE
[CAS]

1171-47-7
[Synonyms]

2,2-BIS(4-CARBOXYPHENYL)HEXAFLUOROPROPANE
4,4'-[2,2,2-TRIFLUORO-1-(TRIFLUOROMETHYL)ETHYLIDENE]DIBENZOIC ACID
4,4'-(HEXAFLUOROISOPROPYLIDENE)BIS(BENZOIC ACID)
BIS-B-AF
2,2-Bis-(4-carboxyphenyl)hexafluoropropane 98%
2,2-Bis-(4-carboxyphenyl)hexafluoropropane98%
2,2-Bis(4-carboxyphenyl)-1,1,1,3,3,3-hexafluoropropane
4,4'-(1,1,1,3,3,3-Hexafluoropropane-2,2-diyl)bis(benzoic acid)
4,4'-(Hexafluoroisopropylidene)dibenzoic acid
4,4'-[1-(Trifluoromethyl)-2,2,2-trifluoroethylidene]bisbenzoic acid
4,4'-[1-(Trifluoromethyl)-2,2,2-trifluoroethylidene]dibenzoic acid
4,4'-[1-(Trifluoromethyl)trifluoroethylidene]dibenzoic acid
[EINECS(EC#)]

628-620-2
[Molecular Formula]

C17H10F6O4
[MDL Number]

MFCD00040931
[Molecular Weight]

392.25
[MOL File]

1171-47-7.mol
Chemical PropertiesBack Directory
[Melting point ]

272-274 °C (lit.)
[Boiling point ]

424.4±45.0 °C(Predicted)
[density ]

1.505±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

powder to crystal
[pka]

3.45±0.10(Predicted)
[color ]

White to Almost white
[BRN ]

2022417
[InChI]

InChI=1S/C17H10F6O4/c18-16(19,20)15(17(21,22)23,11-5-1-9(2-6-11)13(24)25)12-7-3-10(4-8-12)14(26)27/h1-8H,(H,24,25)(H,26,27)
[InChIKey]

PHQYMDAUTAXXFZ-UHFFFAOYSA-N
[SMILES]

C(C1=CC=C(C=C1)C(O)=O)(C1=CC=C(C=C1)C(O)=O)(C(F)(F)F)C(F)(F)F
[CAS DataBase Reference]

1171-47-7(CAS DataBase Reference)
[EPA Substance Registry System]

Benzoic acid, 4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis- (1171-47-7)
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 .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[TSCA ]

Yes
[HazardClass ]

IRRITANT
[HS Code ]

29173990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium hydroxide-->Sulfuric acid-->Dichloromethane-->Acetic acid-->Toluene-->Magnesium sulfate-->Sodium bicarbonate-->Chromium(VI) oxide-->Trifluoromethanesulfonic acid-->Hexafluoroacetone
Hazard InformationBack Directory
[Chemical Properties]

White powder
[Uses]

4,4′-(Hexafluoroisopropylidene)bis(benzoic acid) is suitable for use as monomer in the synthesis of polyoxadiazole and polytriazole. It may be used:
  • in the solvothermal synthesis of new coordination compounds with different transition metal ions
  • as bent ligand in the solvothermal synthesis of metal-organic coordination polymers
  • in the synthesis of RPF-4, a family of polymeric frameworks
[General Description]

4,4′-(Hexafluoroisopropylidene)bis(benzoic acid) is an aromatic dicarboxylic acid. It is a versatile ligand.
Spectrum DetailBack Directory
[Spectrum Detail]

2,2-BIS(4-CARBOXYPHENYL)HEXAFLUOROPROPANE(1171-47-7)MS
2,2-BIS(4-CARBOXYPHENYL)HEXAFLUOROPROPANE(1171-47-7)1HNMR
2,2-BIS(4-CARBOXYPHENYL)HEXAFLUOROPROPANE(1171-47-7)13CNMR
2,2-BIS(4-CARBOXYPHENYL)HEXAFLUOROPROPANE(1171-47-7)IR1
2,2-BIS(4-CARBOXYPHENYL)HEXAFLUOROPROPANE(1171-47-7)IR2
2,2-BIS(4-CARBOXYPHENYL)HEXAFLUOROPROPANE(1171-47-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

2,2-Bis(4-carboxyphenyl)hexafluoropropane, 95%(1171-47-7)
[Sigma Aldrich]

1171-47-7(sigmaaldrich)
[TCI AMERICA]

2,2-Bis(4-carboxyphenyl)hexafluoropropane,>98.0%(T)(1171-47-7)
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