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ChemicalBook--->CAS DataBase List--->64248-62-0

64248-62-0

64248-62-0 Structure

64248-62-0 Structure
IdentificationMore
[Name]

3,4-Difluorobenzonitrile
[CAS]

64248-62-0
[Synonyms]

3,4-DIFLUOROBENZONITRILE
4-CYANO-1,2-DIFLUOROBENZENE
LABOTEST-BB LT00847816
Benzonitrile, 3,4-difluoro-(9CI)
3,4-Difluorobenzonitrile,98%
3,4-Difluorobenzonitrile 98%
Benzonitrile, 3,4-difluoro-
[EINECS(EC#)]

264-751-8
[Molecular Formula]

C7H3F2N
[MDL Number]

MFCD00011666
[Molecular Weight]

139.1
[MOL File]

64248-62-0.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow crystal powder
[Melting point ]

52-54 °C (lit.)
[Boiling point ]

180 °C
[density ]

1.2490 (estimate)
[Fp ]

157 °F
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

soluble in Methanol
[form ]

powder to lump
[color ]

White to Light yellow
[BRN ]

2082224
[InChIKey]

BTBFCBQZFMQBNT-UHFFFAOYSA-N
[CAS DataBase Reference]

64248-62-0(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn,T,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 .
S36/37:Wear suitable protective clothing and gloves .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

UN 1325 4.1/PG 2
[WGK Germany ]

3
[Hazard Note ]

Toxic
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29269090
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3,4-Difluorobenzonitrile(64248-62-0).msds
Hazard InformationBack Directory
[Chemical Properties]

white to light yellow crystal powder
[Uses]

3,4-Difluorobenzonitrile has been used in the preparation of:
fluorophenoxy herbicides
fluorine substituted benzyl amides
[Application]

3,4-Difluorobenzonitrile can be used as an intermediate of medicine, pesticide and liquid crystal material.
[Preparation]

The preparation of 3,4-Difluorobenzonitrile is as follows:To the dry reactor was added 289.6 kg (1.843 kmoles) of 3,4-difluorobenzamide and 800 kg of dichloroethane solution, 241.2 kg (2.02 kmoles) of dichlorosulfoxide and catalyst DMF I.5 And the reaction was carried out at 50 ° C for 5 hours with stirring. After the reaction was complete, the reaction solution was poured into ice water with stirring and the mixture was separated to obtain a crude product having a qualitative content of 96% of 3,4-difluorobenzonitrile 259.1 kg (1.788 kmoles) in 97% yield. The crude product was distilled to give a qualitative content of 99% of 3,4,8-difluorobenzonitrile 248.6 kg (1.77 kmoles) and a distillation yield of 99%.

64248-62-0.png

Spectrum DetailBack Directory
[Spectrum Detail]

3,4-Difluorobenzonitrile(64248-62-0)MS
3,4-Difluorobenzonitrile(64248-62-0)1HNMR
3,4-Difluorobenzonitrile(64248-62-0)13CNMR
3,4-Difluorobenzonitrile(64248-62-0)IR1
3,4-Difluorobenzonitrile(64248-62-0)IR2
3,4-Difluorobenzonitrile(64248-62-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3,4-Difluorobenzonitrile, 97%(64248-62-0)
[Alfa Aesar]

3,4-Difluorobenzonitrile, 98%(64248-62-0)
[Sigma Aldrich]

64248-62-0(sigmaaldrich)
[TCI AMERICA]

3,4-Difluorobenzonitrile,>98.0%(GC)(64248-62-0)
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