ChemicalBook--->CAS DataBase List--->57381-39-2

57381-39-2

57381-39-2 Structure

57381-39-2 Structure
IdentificationMore
[Name]

2-Bromo-5-fluorobenzonitrile
[CAS]

57381-39-2
[Synonyms]

2-BROMO-5-FLUOROBENZONITRILE
Bromofluorobenzonitrile2
2-Bromo-5-fluorobenzonitrile 99%
2-Bromo-5-fluorobenzonitrile99%
2-Bromo-5-fluorobenzonitrile, 98+%
[EINECS(EC#)]

260-711-9
[Molecular Formula]

C7H3BrFN
[MDL Number]

MFCD00142875
[Molecular Weight]

200.01
[MOL File]

57381-39-2.mol
Chemical PropertiesBack Directory
[Melting point ]

92-95 °C(lit.)
[Boiling point ]

251.2±25.0 °C(Predicted)
[density ]

1.69±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Soluble in methanol.
[form ]

powder to crystal
[color ]

White to Yellow to Orange
[BRN ]

8678330
[InChI]

InChI=1S/C7H3BrFN/c8-7-2-1-6(9)3-5(7)4-10/h1-3H
[InChIKey]

MDHNVHCZDCSTMS-UHFFFAOYSA-N
[SMILES]

C(#N)C1=CC(F)=CC=C1Br
[CAS DataBase Reference]

57381-39-2(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 .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

3439
[WGK Germany ]

3
[Hazard Note ]

Toxic
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29269090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Bromo-5-fluorobenzonitrile(57381-39-2).msds
Hazard InformationBack Directory
[Chemical Properties]

Colorless solid
[Uses]

2-Bromo-5-fluorobenzonitrile may be used in the preparation of 5-chloro-4,2?-difluorobiphenyl-2-carbonitrile.
[Uses]

2-Bromo-5-fluorobenzonitrile is used in the synthesis of pyrimidine functional compounds acting as GABAAα2/α3 binding site agonists used in the treatment of anxiety disorders.
[General Description]

2-Bromo-5-fluorobenzonitrile can be prepared from 3-fluorobenzonitrile vial bromination using 1,3-dibromo-5,5-dimethylhydantoin (DBDMH).. It undergoes palladium-catalyzed Suzuki coupling with boronic acid derivative to form corresponding biaryl.
Spectrum DetailBack Directory
[Spectrum Detail]

2-Bromo-5-fluorobenzonitrile(57381-39-2)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

2-Bromo-5-fluorobenzonitrile, 98+%(57381-39-2)
[Sigma Aldrich]

57381-39-2(sigmaaldrich)
[TCI AMERICA]

2-Bromo-5-fluorobenzonitrile,>97.0%(GC)(57381-39-2)
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