ChemicalBook--->CAS DataBase List--->179897-89-3

179897-89-3

179897-89-3 Structure

179897-89-3 Structure
IdentificationMore
[Name]

5-Bromo-2-fluorobenzonitrile
[CAS]

179897-89-3
[Synonyms]

2-Fluoro-5-bromobenzonitrile
5-BROMO-2-FLUOROBENZONITRILE
5-Bromo-2-fluorobenzonitrile 98%
5-Bromo-2-fluorobenzonitrile98%
[Molecular Formula]

C7H3BrFN
[MDL Number]

MFCD00143424
[Molecular Weight]

200.01
[MOL File]

179897-89-3.mol
Chemical PropertiesBack Directory
[Appearance]

white to off-white powder or crystals
[Melting point ]

76-81 °C
[Boiling point ]

220.4±20.0 °C(Predicted)
[density ]

1.7286 (rough estimate)
[refractive index ]

1.5320 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[Detection Methods]

GC,NMR
[BRN ]

7701063
[InChIKey]

GYCNHFWRPJXTSB-UHFFFAOYSA-N
[CAS DataBase Reference]

179897-89-3(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn,T,Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S22:Do not breathe dust .
S36:Wear suitable protective clothing .
[RIDADR ]

3439
[WGK Germany ]

3
[Hazard Note ]

Toxic
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29269090
Raw materials And Preparation ProductsBack Directory
[Raw materials]

2-MERCAPTOPYRIMIDINE-4,6-DIOL
[Preparation Products]

3-Cyano-4-fluorobenzeneboronic acid-->4-BROMO-2-HYDROXYBENZONITRILE-->Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate-->2-(tetrahydro-2H-pyran-4-yloxy)-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)benzonitrile-->2-FLUORO-5-METHOXYBENZONITRILE-->5-BroMo-2-(pyrrolidin-1-yl)benzonitrile-->3-(3-CYANO-4-FLUOROPHENYL)-1-PROPENE-->5-(5-BroMo-2-fluorophenyl)-2H-tetrazole-->5-broMo-2-(tetrahydro-2H-pyran-4-yloxy)benzonitrile-->5-Bromo-2-mercapto-benzonitrile-->1,7-DIBROMO-3-ISOQUINOLINAMINE-->5-BroMo-2-(piperidin-1-yl)benzonitrile-->5-BROMO-1H-INDAZOL-3-AMINE
Hazard InformationBack Directory
[Chemical Properties]

white to off-white powder or crystals
[Uses]

5-Bromo-2-fluorobenzonitrile may be used for the preparation of the following compounds:
  • (E)-5-(2-cyclopropylvinyl)-2-fluorobenzonitrile and methyl-3-amino-5-bromobenzo[b]thiophene-2-carboxylate
  • (S)-[2-[5-(3-cyano-4-fluoro-phenyl)-pyridin-3-yloxy]-1-(1H-indol-3-ylmethyl)-ethyl]-carbamic acid tert-butyl ester
  • 4-fluoro-3-cyano-3′-tributyltinbenzhydrol
  • 4-fluoro-3-cyano-3′-iodobenzhydrol
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

5-Bromo-2-fluorobenzonitrile, 97%(179897-89-3)
[Alfa Aesar]

5-Bromo-2-fluorobenzonitrile, 98%(179897-89-3)
[Sigma Aldrich]

179897-89-3(sigmaaldrich)
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