ChemicalBook--->CAS DataBase List--->2377-81-3

2377-81-3

2377-81-3 Structure

2377-81-3 Structure
IdentificationMore
[Name]

2,4,5,6-Tetrafluoroisophthalonitrile
[CAS]

2377-81-3
[Synonyms]

1,3-Dicyanotetrafluorobenzene
2,4,5,6-TETRAFLUOROBENZENE-1,3-DICARBONITRILE
2,4,5,6-tetrafluoroisophthalonitrile
PERFLUOROISOPHTHALONITRILE
TETRAFLUOROISOPHTHALONITRILE
Tetrafluoroisophthalonitrile,97%
Tetrafluoroisophthalonitrile 98%
Tetrafluoroisophthalonitrile98%
2,4,5,6-Tetrafluoro-1,3-benzenedicarbonitrile
[EINECS(EC#)]

623-653-9
[Molecular Formula]

C8F4N2
[MDL Number]

MFCD00013290
[Molecular Weight]

200.09
[MOL File]

2377-81-3.mol
Chemical PropertiesBack Directory
[Appearance]

solid
[Melting point ]

78-79 °C(lit.)
[Boiling point ]

113-115 °C(Press: 10 Torr)
[density ]

1.6184 (estimate)
[Fp ]

79 °C
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[color ]

White to Light yellow
[Stability:]

Stability
[BRN ]

6925899
[InChI]

InChI=1S/C8F4N2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14
[InChIKey]

WVHMPQKZPHOCRD-UHFFFAOYSA-N
[SMILES]

C1(C#N)=C(F)C(F)=C(F)C(C#N)=C1F
[CAS DataBase Reference]

2377-81-3(CAS DataBase Reference)
Questions And AnswerBack Directory
[Synthesis]

Synthetic route of 2,4,5,6-tetrafluoroisophthalonitrile

In a 250 mL three-necked flask, 150 mL of dried sulfolane was added, followed by 26.6 g of dried chlorothalonil. Under mechanical stirring, the mixture was heated to 70 °C to completely dissolve the chlorothalonil. 25.0 g of anhydrous potassium fluoride and 0.5 g of 18-crown ether-6 were quickly added as a phase transfer catalyst. A drying tube was attached to one side of the flask. The reaction was then carried out at 160-180 °C for 8 hours. After cooling to room temperature, the precipitate (KF + KCl) was removed by filtration. The precipitate was washed 2-3 times with 20 mL of sulfolane (approximately 24.9 g in weight). The filtrates were combined and poured into 500 mL of water. The mixture was magnetically stirred for 2 hours. Filtering yielded 17.6 g of precipitate, which was dried and recrystallized from cyclohexane to obtain white needle-like crystals weighing approximately 16.4 g (70.7% yield).
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Skull and Crossbones (GHS06)
GHS07,GHS06
[Signal word ]

Warning
[Hazard statements ]

H302-H312-H331-H335-H302+H312+H332-H315-H319
[Precautionary statements ]

P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501-P304+P340-P305+P351+P338-P405-P501a
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

3439
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29269095
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1,3-Dicyanotetrafluorobenzene(2377-81-3).msds
Hazard InformationBack Directory
[Chemical Properties]

solid
[Uses]

2,4,5,6-Tetrafluoroisophthalonitrile and derivatives have been used to study their antimicrobial activity against Staphylococcus aureus, Bacillus cereus (Gram-pos. bacteria), Escherichia coli, Pseudomonas aeruginosa (Gram-neg. bacteria); and Candida albicans (Fungi).
Spectrum DetailBack Directory
[Spectrum Detail]

2,4,5,6-Tetrafluoroisophthalonitrile(2377-81-3)MS
2,4,5,6-Tetrafluoroisophthalonitrile(2377-81-3)13CNMR
2,4,5,6-Tetrafluoroisophthalonitrile(2377-81-3)IR1
2,4,5,6-Tetrafluoroisophthalonitrile(2377-81-3)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Tetrafluoroisophthalonitrile, 98%(2377-81-3)
[Alfa Aesar]

Tetrafluoroisophthalonitrile, 97%(2377-81-3)
[Sigma Aldrich]

2377-81-3(sigmaaldrich)
[TCI AMERICA]

Tetrafluoroisophthalonitrile,>98.0%(GC)(2377-81-3)
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