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About This Item
Linear Formula:
BrC6H3(F)CN
CAS Number:
Molecular Weight:
200.01
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Assay
98%
form
solid
mp
69-72 °C (lit.)
SMILES string
Fc1cc(Br)ccc1C#N
InChI
1S/C7H3BrFN/c8-6-2-1-5(4-10)7(9)3-6/h1-3H
InChI key
HGXWRDPQFZKOLZ-UHFFFAOYSA-N
Application
4-Bromo-2-fluorobenzonitrile may be used in the preparation of heterocycles and liquid crystals.
4-Bromo-2-fluorobenzonitrile may be used in the preparation of:
- 3-fluoro-4′-formylbiphenyl-4-carbonitrile
- (S)-6-{5-[2-amino-3-(1H-indol-3-yl)-propoxy]-pyridin-3-yl}-1H-indazol-3-ylamine
- 4-methoxycarbonyl-2-fluorobenzonitrile, via palladium-mediated methoxy carbonylation
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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Journal of Materials Chemistry, 5, 1125-1125 (1995)
Tetrahedron Letters, 37, 2885-2885 (1996)
Salvatore D Lepore et al.
Organic letters, 5(1), 7-10 (2003-01-03)
In both solution and the solid phase, a variety of ketone oxime anions have been treated with 4-substituted-2-fluorobenzonitriles to give the corresponding nucleophilic aromatic substitution aryloxime adducts. Under aqueous acidic conditions, these adducts underwent cyclization to give the corresponding ketones.
Mol. Cryst. Liq. Cryst., 172, 165-165 (1989)
The Journal of Organic Chemistry, 55, 4822-4822 (1990)
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