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123843-57-2

123843-57-2 Structure

123843-57-2 Structure
IdentificationMore
[Name]

2,6-Difluoro-4-hydroxybenzonitrile
[CAS]

123843-57-2
[Synonyms]

2,6-DIFLUORO-4-HYDROXYBENZONITRILE
3,5-DIFLUORO-4-CYANOPHENOL
4-CYANO-3,5-DIFLUOROPHENOL
4-Cyano-3,5-Difluorophenol/3,5-Difluoro-4-Cyanophenol
Benzonitrile, 2,6-difluoro-4-hydroxy-(9CI)
2,6-Difluoro-4-hydroxy
[Molecular Formula]

C7H3F2NO
[MDL Number]

MFCD03094499
[Molecular Weight]

155.1
[MOL File]

123843-57-2.mol
Chemical PropertiesBack Directory
[Appearance]

Off-white Cryst
[Melting point ]

127 °C
[Boiling point ]

279.8±40.0 °C(Predicted)
[density ]

1.44±0.1 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

soluble in Methanol
[form ]

powder to crystaline
[pka]

5.87±0.23(Predicted)
[color ]

White to Almost white
[Usage]

Intermediates of Liquid Crystals
[Detection Methods]

HPLC,NMR,MS
[InChI]

InChI=1S/C7H3F2NO/c8-6-1-4(11)2-7(9)5(6)3-10/h1-2,11H
[InChIKey]

KEIYYIGMDPTAPL-UHFFFAOYSA-N
[SMILES]

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

123843-57-2(CAS DataBase Reference)
[Storage Precautions]

Store under argon gas
Questions And AnswerBack Directory
[Preparation]

Using 2,6-difluoroaniline as a raw material, nitration yields 4-nitro-2,6-difluoroaniline, followed by reammoniation and cyanation to produce 4-nitro-2,6-difluorobenzonitrile, which is then reduced to 4-cyano-3,5-difluoroaniline. Finally, reammoniation and hydrolysis yield 2,6-difluoro-4-hydroxybenzonitrile.

Safety DataBack Directory
[Symbol(GHS) ]

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

Danger
[Hazard statements ]

H301+H311+H331-H315-H319
[Precautionary statements ]

P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501
[Hazard Codes ]

Xi
[RIDADR ]

3439
[WGK Germany ]

WGK 3
[Hazard Note ]

Irritant
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29269090
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium hydroxide-->Hydrochloric acid-->Ethyl acetate-->Methanol-->Tetrahydrofuran-->Dichloromethane-->Acetic acid-->N,N-Dimethylformamide-->Thionyl chloride-->Petroleum ether-->Phosphorus oxitrichloride-->Sodium carbonate-->Chloroform-->Magnesium sulfate-->Potassium hydroxide-->Sodium chloride-->Ammonia-->Sodium bicarbonate-->Hydrogen peroxide-->Aluminum chloride-->Dimethyl sulfate-->Acetyl chloride-->Hydroxylamine hydrochloride-->Phosphorus pentoxide-->Zinc oxide-->Boron tribromide-->SODIUM SULFATE DECAHYDRATE-->1-Bromo-3,5-difluorobenzene-->3,5-Difluorophenol
Hazard InformationBack Directory
[Chemical Properties]

Off-white Cryst
[Uses]

Intermediates of Liquid Crystals
Spectrum DetailBack Directory
[Spectrum Detail]

2,6-Difluoro-4-hydroxybenzonitrile(123843-57-2)1HNMR
Well-known Reagent Company Product InformationBack Directory
[TCI AMERICA]

2,6-Difluoro-4-hydroxybenzonitrile,>98.0%(GC)(T)(123843-57-2)
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