ChemicalBook > CAS DataBase List > 3-Chloro-4-Fluorobenzyl Cyanide

3-Chloro-4-Fluorobenzyl Cyanide

Product Name
3-Chloro-4-Fluorobenzyl Cyanide
CAS No.
658-98-0
Chemical Name
3-Chloro-4-Fluorobenzyl Cyanide
Synonyms
3-CHLORO-4-FLUOROBENZYL CYANIDE;3-Chloro-4-fluorophenylacetonitrile;3-Chloro-4-fluoro benzeneacetonitrile;Benzeneacetonitrile,3-chloro-4-fluoro-;2-(3-chloro-4-fluorophenyl)acetonitrile;3-Chloro-4-fluorobenzyl cyanide, 2-(3-Chloro-4-fluorophenyl)ethanonitrile
CBNumber
CB82129963
Molecular Formula
C8H5ClFN
Formula Weight
169.58
MOL File
658-98-0.mol
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3-Chloro-4-Fluorobenzyl Cyanide Property

Boiling point:
130-134 °C(Press: 7 Torr)
Density 
1.286±0.06 g/cm3(Predicted)
storage temp. 
2-8°C
Appearance
Colorless to light yellow Solid-Liquid Mixture
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Safety

RIDADR 
UN2810
HazardClass 
TOXIC
HS Code 
2926907090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

H312Harmful in contact with skin

H332Harmful if inhaled

Precautionary statements

P262Do not get in eyes, on skin, or on clothing.

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

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N-Bromosuccinimide Price

TRC
Product number
C584738
Product name
3-Chloro-4-fluorophenylacetonitrile
Packaging
250mg
Price
$55
Updated
2021/12/16
Matrix Scientific
Product number
002519
Product name
3-Chloro-4-fluorophenylacetonitrile
Purity
97%
Packaging
1g
Price
$12
Updated
2021/12/16
Oakwood
Product number
005670
Product name
3-Chloro-4-fluorophenylacetonitrile
Purity
98%
Packaging
1g
Price
$13
Updated
2021/12/16
AK Scientific
Product number
J98067
Product name
3-Chloro-4-fluorobenzylcyanide
Packaging
5g
Price
$29
Updated
2021/12/16
Matrix Scientific
Product number
002519
Product name
3-Chloro-4-fluorophenylacetonitrile
Purity
97%
Packaging
5g
Price
$36
Updated
2021/12/16
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3-Chloro-4-Fluorobenzyl Cyanide Chemical Properties,Usage,Production

Chemical Properties

White crystalline powder

Synthesis

773837-37-9

192702-01-5

658-98-0

Example 3: General procedure for the synthesis of 3-chloro-4-fluorophenylacetonitrile (Product 3A) from compound (CAS:773837-37-9) and 3-chloro-4-fluorobenzyl bromide. 1. In a three-necked flask equipped with a magnetic stirrer, condenser and dosing funnel, water (75 mL) was added. 2. sodium cyanide (13.16 g, 268.49 mmol) was added to the flask followed by chloroform (100 mL) and the phase transfer catalyst N-benzyl-N,N-diethylethanaminium chloride (3.06 g, 13.42 mmol). 3. The mixture was vigorously stirred at 25 °C while a chloroform solution of 3-chloro-4-fluorobenzyl bromide (30 g, 134.25 mmol) was added dropwise over 30 min. 4. After the dropwise addition, the reaction mixture was continued to be stirred at 25 °C for 3 hours and then heated to 45 °C and kept there for 2 hours. 5. After completion of the reaction, it was cooled to room temperature and the organic and aqueous layers were separated. 6. The organic layer was washed sequentially with 0.5 N NaOH solution and brine, then dried with anhydrous Na2SO4, filtered and concentrated. 7. The aqueous layers are combined, treated with 1 N NaOH solution and bleach (note the exothermic reaction), and treated according to standards for the treatment of cyanide-containing waste. 8. The final pure 3-chloro-4-fluorophenylacetonitrile (Product 3A, 22.05 g, 97% yield) was obtained as an oil. 1H NMR (500 MHz, chloroform-d) data for product 3A: δ 7.39 (dd, J = 6.56, 2.29 Hz, 1H), 7.21 (dd, J = 4.43, 2.29 Hz, 1H), 7.17 (d, J = 8.55 Hz, 1H), 3.71 (s, 2H).

References

[1] Patent: WO2010/71575, 2010, A1. Location in patent: Page/Page column 52

3-Chloro-4-Fluorobenzyl Cyanide Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from 3-Chloro-4-Fluorobenzyl Cyanide manufacturers

Honest Joy Holdings Limited
Product
3-Chloro-4-fluorophenylacetonitrile 658-98-0
Price
US $0.00/KG
Min. Order
1KG
Purity
98.7%
Supply Ability
100 tons
Release date
2022-02-18
Career Henan Chemical Co
Product
3-Chloro-4-Fluorobenzyl Cyanide 658-98-0
Price
US $9.80/KG
Min. Order
1g
Purity
≥99%
Supply Ability
100kg
Release date
2020-01-09

658-98-0, 3-Chloro-4-Fluorobenzyl CyanideRelated Search:

2-Chloro-3-fluoroaniline 2,4－difluoro-3-chloroaniline 3-CHLORO-4-FLUOROBENZOYL CYANIDE 4-Fluorophenylacetonitrile 3-Chloro-4-Fluorobenzyl Cyanide 3-Chlorobenzyl cyanide 3-CHLORO-2,4-DIFLUOROPHENYLACETONITRILE

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  • 658-98-0
  • Fluorine series