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5-Bromo-2-fluorobenzonitrile

5-Bromo-2-fluorobenzonitrile Structure
CAS No.
179897-89-3
Chemical Name:
5-Bromo-2-fluorobenzonitrile
Synonyms
2-Fluoro-5-bromobenzonitrile;Olapali impurity 6;Olapali impurity 17;2- fluorine-5-broMoxynil;5-BROMO-2-FLUOROBENZONITRILE;2-Flouro-5-bromobenzonitrile;2-Fliuoro-5-broMo Benzonitrile;Benzonitrile, 5-broMo-2-fluoro-;5-Bromo-2-fluorobenzonitrile98%;5-Bromo-2-fluorobenzonitrile >
CBNumber:
CB3431412
Molecular Formula:
C7H3BrFN
Molecular Weight:
200.01
MOL File:
179897-89-3.mol
MSDS File:
SDS
Modify Date:
2024/10/28 16:48:35

5-Bromo-2-fluorobenzonitrile Properties

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
solubility soluble in Methanol
form powder to crystal
color White to Light yellow to Light orange
BRN 7701063
InChI InChI=1S/C7H3BrFN/c8-6-1-2-7(9)5(3-6)4-10/h1-3H
InChIKey GYCNHFWRPJXTSB-UHFFFAOYSA-N
SMILES C(#N)C1=CC(Br)=CC=C1F
CAS DataBase Reference 179897-89-3(CAS DataBase Reference)

SAFETY

Risk and Safety Statements

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H302+H312+H332-H315-H319-H335
Precautionary statements  P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
Hazard Codes  Xn,T,Xi
Risk Statements  36/37/38-20/21/22
Safety Statements  36/37/39-26-22-36
RIDADR  3439
WGK Germany  3
Hazard Note  Toxic
HazardClass  6.1
PackingGroup  III
HS Code  29269090
NFPA 704
1
2 0

5-Bromo-2-fluorobenzonitrile price More Price(6)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich(India) 465259 5-Bromo-2-fluorobenzonitrile 97% 179897-89-3 1G ₹1558.8 2022-06-14 Buy
Sigma-Aldrich(India) 465259 5-Bromo-2-fluorobenzonitrile 97% 179897-89-3 5G ₹3344.93 2022-06-14 Buy
TCI Chemicals (India) B2425 5-Bromo-2-fluorobenzonitrile min. 98.0 % 179897-89-3 5G ₹2600 2022-05-26 Buy
TCI Chemicals (India) B2425 5-Bromo-2-fluorobenzonitrile min. 98.0 % 179897-89-3 25G ₹8500 2022-05-26 Buy
ALFA India ALF-A16113-14 5-Bromo-2-fluorobenzonitrile, 98% 179897-89-3 25g ₹10842 2022-05-26 Buy
Product number Packaging Price Buy
465259 1G ₹1558.8 Buy
465259 5G ₹3344.93 Buy
B2425 5G ₹2600 Buy
B2425 25G ₹8500 Buy
ALF-A16113-14 25g ₹10842 Buy

5-Bromo-2-fluorobenzonitrile Chemical Properties,Uses,Production

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

Synthesis

5-Bromo-2-fluorobenzonitrile is the key intermediate of the synthetic antigout drug Febuxostat. The synthesis method comprises the following steps: reacting o-fluorobenzoyl chloride with ammonia water to obtain o-fluorobenzamide; then generating o-fluorobenzonitrile under the action of a dehydration reagent; and finally, in 75-90% sulfuric acid, brominating with dibromohydantoin to obtain 5-bromo-2-fluorobenzonitrile. The synthesis method is simple and easy to implement, mild in conditions, low in production cost, and causes no wastewater discharge.

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Benzonitrile, 5-broMo-2-fluoro- 2- fluorine-5-broMoxynil 2-Fliuoro-5-broMo Benzonitrile 5-Bromo-2-fluorobenzonitrile,97% 5-BROMO-2-FLUOROBENZONITRILE 5-Bromo-2-fluorobenzonitrile 98% 5-Bromo-2-fluorobenzonitrile98% 5-Bromo-2-fluorobenzonitrile > 5-Bromo-2-fluorobenzonitrile (Olaparib Impurity) 2-Fluoro-5-bromobenzonitrile Olapali impurity 6 Olapali impurity 17 2-Flouro-5-bromobenzonitrile 179897-89-3 Cyanides/Nitriles Organic Building Blocks Nitrogen Compounds ARYL HALIDE Building Blocks C6 to C7 cyanide| alkyl bromide| alkyl Fluorine Fluorine series Febuxostat Aromatic Nitriles Nitrile Miscellaneous Bromine Compounds Fluorine Compounds Nitriles C6 to C7 Cyanides/Nitriles Nitrogen Compounds Fluorobenzene