3-CYANO-4-FLUOROBENZYL BROMIDE

Product Name: 3-CYANO-4-FLUOROBENZYL BROMIDE
CAS No.: 180302-35-6
Chemical Name: 3-CYANO-4-FLUOROBENZYL BROMIDE
Synonyms: 3-cyano-4-fluorobromobenzyl;3-CYANO-4-FLUOROBENZYL BROMIDE;5-(BroMoMethyl)-2-fluorobenzonitrile;Benzonitrile, 5-(bromomethyl)-2-fluoro-;3-Cyano-4-fluorobenzyl bromide, alpha-Bromo-6-fluoro-m-tolunitrile
CBNumber: CB3358029
Molecular Formula: C8H5BrFN
Formula Weight: 214.03
MOL File: Mol file

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3-CYANO-4-FLUOROBENZYL BROMIDE Property

Boiling point:: 272.7±25.0 °C(Predicted)
Density: 1.59±0.1 g/cm3(Predicted)
storage temp.: Storage temp. 2-8°C
form: fused solid
color: White to off-white to faint yellow
Sensitive: Lachrymatory

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Safety

Hazard Codes: C,Xn
Risk Statements: 22
Hazard Note: Corrosive/Lachrymatory
HS Code: 2926907090

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Danger

Hazard statements

H314Causes severe skin burns and eye damage

Precautionary statements

P260Do not breathe dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P330+P331IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

P405Store locked up.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

TRC

Product number: B685635
Product name: 5-Bromomethyl-2-fluorobenzonitrile
Packaging: 1g
Price: $140
Updated: 2021/12/16

TRC

Product number: B685635
Product name: 5-Bromomethyl-2-fluorobenzonitrile
Packaging: 10g
Price: $1100
Updated: 2021/12/16

Biosynth Carbosynth

Product number: FC37298
Product name: 3-Cyano-4-fluorobenzyl bromide
Packaging: 250mg
Price: $150
Updated: 2021/12/16

Matrix Scientific

Product number: 134390
Product name: 5-(Bromomethyl)-2-fluorobenzonitrile
Purity: 95%+
Packaging: 100mg
Price: $53
Updated: 2021/12/16

AK Scientific

Product number: J98619
Product name: 3-Cyano-4-fluorobenzylbromide
Packaging: 1g
Price: $55
Updated: 2021/12/16

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3-CYANO-4-FLUOROBENZYL BROMIDE Chemical Properties,Usage,Production

Uses

3-CYANO-4-FLUOROBENZYL BROMIDE is used in the synthetic preparations of thrombin inhibitors.

Synthesis

64113-84-4

180302-35-6

General procedure for the synthesis of 2-fluoro-5-(bromomethyl)benzonitrile from 2-fluoro-5-methylbenzonitrile: 2-fluoro-5-methylbenzonitrile (3.00 g, 22 mmol), N-bromosuccinimide (4.12 g, 23 mmol), and benzoyl peroxide (1.07 g, 4.4 mmol) were dissolved in carbon tetrachloride (100 mL) and heated to reflux for 6 hours. Upon completion of the reaction, the mixture was cooled to room temperature and subsequently mixed with water. The organic phase was separated, dried with anhydrous magnesium sulfate and filtered through diatomaceous earth (Celite?). The filtrate was concentrated under reduced pressure and purified by fast column chromatography (n-hexane/ethyl acetate, 20:1) to afford 5-(bromomethyl)-2-fluorobenzonitrile (1.58 g, 33% yield) as an oil.1H NMR (CDCl3, 400 MHz) data were as follows: δ 4.45 (s, 2H), 7.21 (m, 1H), 7.65 (m, 2H).

References

[1] Journal of Medicinal Chemistry, 2016, vol. 59, # 20, p. 9422 - 9430
[2] Bioorganic and Medicinal Chemistry Letters, 2002, vol. 12, # 20, p. 2925 - 2930
[3] Helvetica Chimica Acta, 2017, vol. 100, # 12,
[4] Patent: WO2010/93845, 2010, A1. Location in patent: Page/Page column 86
[5] Bioorganic and Medicinal Chemistry Letters, 1998, vol. 8, # 7, p. 715 - 720

3-CYANO-4-FLUOROBENZYL BROMIDE Preparation Products And Raw materials

Raw materials

Preparation Products

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3-CYANO-4-FLUOROBENZYL BROMIDE Suppliers

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180302-35-6, 3-CYANO-4-FLUOROBENZYL BROMIDERelated Search:

4-Fluorobenzyl bromide

3-CYANO-4-FLUOROBENZYL BROMIDE

5-(BroMoMethyl)-2-fluorobenzonitrile

3-Cyano-4-fluorobenzyl bromide, alpha-Bromo-6-fluoro-m-tolunitrile

Benzonitrile, 5-(bromomethyl)-2-fluoro-

3-cyano-4-fluorobromobenzyl

180302-35-6

Fluorine series