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4-Bromo-3-fluorobenzonitrile

CAS No.
133059-44-6
Chemical Name:
4-Bromo-3-fluorobenzonitrile
Synonyms
4-bromo-3-fluoronitrile;4-BROMO-3-FLUOROBENZONITRILE;3-FLUORO-4-BROMOBENZONITRILE;4-Cyano-2-fluorobromobenzene;4-Bromo-3-fluorobenzonitrile97%;Benzonitrile, 4-bromo-3-fluoro-;4-Bromo-3-fluorobenzonitrile >
CBNumber:
CB2287247
Molecular Formula:
C7H3BrFN
Molecular Weight:
200.01
MDL Number:
MFCD07782069
MOL File:
133059-44-6.mol
MSDS File:
SDS
TDS File:
TDS
Last updated:2026-05-28 00:10:06
Product description Number Pack Size Price
4-bromo-3-fluorobenzonitrile AldrichCPR CDS010530 1 g $77.9
4-Bromo-3-fluorobenzonitrile >98.0%(GC) B4022 5g $54
4-Bromo-3-fluorobenzonitrile >98.0%(GC) B4022 25g $186
4-Bromo-3-fluorobenzonitrile FB64116 0.05kg $150
4-Bromo-3-fluorobenzonitrile FB64116 0.025kg $150
More product size

4-Bromo-3-fluorobenzonitrile Properties

Melting point 54-58 C
Boiling point 230.1±20.0 °C(Predicted)
Density 1.69±0.1 g/cm3(Predicted)
storage temp. Sealed in dry,Room Temperature
form powder to crystal
color White to Almost white
InChI InChI=1S/C7H3BrFN/c8-6-2-1-5(4-10)3-7(6)9/h1-3H
InChIKey QBKXYSXQKRNVRQ-UHFFFAOYSA-N
SMILES C(#N)C1=CC=C(Br)C(F)=C1
CAS DataBase Reference 133059-44-6(CAS DataBase Reference)
UNSPSC Code 12352200
NACRES NA.21

SAFETY

Risk and Safety Statements

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302+H312+H332-H315-H319
Precautionary statements  P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
Hazard Codes  T,Xi,Xn
Risk Statements  20/21/22-36/37/38-36-22
Safety Statements  26-36
WGK Germany  WGK 3
Hazard Note  Toxic
HazardClass  IRRITANT
HS Code  2926907090
Storage Class 11 - Combustible Solids
NFPA 704
1
2 0

4-Bromo-3-fluorobenzonitrile price More Price(60)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich CDS010530 4-bromo-3-fluorobenzonitrile AldrichCPR 1 g $77.9 2026-04-30 Buy
TCI Chemical B4022 4-Bromo-3-fluorobenzonitrile >98.0%(GC) 133059-44-6 5g $54 2026-04-30 Buy
TCI Chemical B4022 4-Bromo-3-fluorobenzonitrile >98.0%(GC) 133059-44-6 25g $186 2026-04-30 Buy
Biosynth FB64116 4-Bromo-3-fluorobenzonitrile 133059-44-6 0.05kg $150 2026-06-04 Buy
Biosynth FB64116 4-Bromo-3-fluorobenzonitrile 133059-44-6 0.025kg $150 2026-06-04 Buy
Product number Packaging Price Buy
CDS010530 1 g $77.9 Buy
B4022 5g $54 Buy
B4022 25g $186 Buy
FB64116 0.05kg $150 Buy
FB64116 0.025kg $150 Buy

4-Bromo-3-fluorobenzonitrile Chemical Properties,Uses,Production

Chemical Properties

White to light brown solid

Uses

4-Bromo-3-fluorobenzonitrile is a fluorobenzonitrile that is used in the preparation of ethylene. This chemical can also be used in the synthesis of pharmaceuticals and dyes. 4-Bromo-3-fluorobenzonitrile has been shown to have antimutagenicity and DNA repair abilities, which are due to its ability to inhibit carcinogen metabolism by binding to the enzyme cytochrome P450 2E1. 4-Bromo-3-fluorobenzonitrile also prevents cross linking of collagen by reacting with amino groups on lysine residues, which leads to a decrease in cardiac toxicity.

Synthesis

3-Fluoro-4-aminobenzonitrile

63069-50-1

4-Bromo-3-fluorobenzonitrile

133059-44-6

Step 2: Synthesis of 4-bromo-3-fluorobenzonitrile Sodium sulfite (0.97 g, 14.117 mmol) was added to sulfuric acid (6 mL) in batches at 5 °C, followed by stirring at room temperature for 30 min. The reaction mixture was cooled to 0 °C, acetic acid (9.8 mL) was added slowly and stirring was continued for 5 min. After that, 4-amino-3-fluorobenzonitrile (1.6 g, 11.764 mmol) was added in small portions. The mixture was stirred at room temperature for 1 hour. Subsequently, a solution of copper (I) bromide (2.5 g, 17.647 mmol) was added to the aqueous solution. Hydrobromic acid (6 mL) was added slowly at 10 °C. The resulting mixture was stirred overnight at room temperature and the progress of the reaction was monitored by thin layer chromatography (TLC). Upon completion of the reaction, water was added and extracted with ether. The organic layer was dried with anhydrous sodium sulfate and concentrated under reduced pressure. The crude product was purified by column chromatography on silica gel (100-200 mesh) using a hexane solution containing 2% ethyl acetate as eluent, resulting in 4-bromo-3-fluorobenzonitrile (0.8 g, 34.7% yield) as a white solid. Mass spectrum (MS): 201.1 [M + 1].

References

[1] Patent: US2017/291894, 2017, A1. Location in patent: Paragraph 0536-0538

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View Lastest Price from 4-Bromo-3-fluorobenzonitrile manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
4-Bromo-3-fluorobenzonitrile pictures 2026-06-30 4-Bromo-3-fluorobenzonitrile
133059-44-6
1KG 98.0% 10000KGS Shaanxi Dideu New Materials Co. Ltd
4-Bromo-3-fluorobenzonitrile pictures 2026-03-20 4-Bromo-3-fluorobenzonitrile
133059-44-6
1KG 99% 20 mt Hebei Chuanghai Biotechnology Co., Ltd
4-Bromo-3-fluorobenzonitrile pictures 2019-07-12 4-Bromo-3-fluorobenzonitrile
133059-44-6
$1.00 1KG 99% 100kg Career Henan Chemical Co
3-FLUORO-4-BROMOBENZONITRILE 4-BROMO-3-FLUOROBENZONITRILE 4-Bromo-3-fluorobenzonitrile97% 4-Cyano-2-fluorobromobenzene 4-Bromo-3-fluorobenzonitrile > Benzonitrile, 4-bromo-3-fluoro- 4-bromo-3-fluoronitrile 133059-44-6 Aromatic Nitriles Fluorine series