3-Fluoro-4-methylbenzonitrile

Product Name: 3-Fluoro-4-methylbenzonitrile
CAS No.: 170572-49-3
Chemical Name: 3-Fluoro-4-methylbenzonitrile
Synonyms: 3-Fluoro-4-methylben;3-FLUORO-P-TOLUNITRILE;4-CYANO-2-FLUOROTOLUENE;2-Fluoro-4-cyanotoluene;3-Fluoro-p-tolunitrile>Fluoro-4-methylbenzonitrile;3-Fluoro-p-tolunitrile (CN=1);3-FLUORO-4-METHYLBENZONITRILE;4-METHYL-3-FLUOROBENZONITRILE;4-Cyano-2-fluoro-1-methylbenzene
CBNumber: CB3402607
Molecular Formula: C8H6FN
Formula Weight: 135.14
MOL File: 170572-49-3.mol

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3-Fluoro-4-methylbenzonitrile Property

Melting point:: 47-51 °C
Boiling point:: 204°C
Density: 1.11±0.1 g/cm3(Predicted)
Flash point:: 182 °F
storage temp.: Sealed in dry,Room Temperature
solubility: soluble in Methanol
form: powder to crystal
color: White to Orange to Green
BRN: 7700177
InChI: InChI=1S/C8H6FN/c1-6-2-3-7(5-10)4-8(6)9/h2-4H,1H3
InChIKey: KUQQONVKIURIQU-UHFFFAOYSA-N
SMILES: C(#N)C1=CC=C(C)C(F)=C1
CAS DataBase Reference: 170572-49-3(CAS DataBase Reference)

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Safety

Hazard Codes: Xi,T
Risk Statements: 41
Safety Statements: 26-39
RIDADR: 3276
WGK Germany: 3
Hazard Note: Toxic
HazardClass: 6.1
PackingGroup: III
HS Code: 29269090

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Danger

Hazard statements

H318Causes serious eye damage

Precautionary statements

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

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: 664030
Product name: 3-Fluoro-4-methylbenzonitrile
Purity: 97%
Packaging: 25g
Price: $108.5
Updated: 2025/07/31

Sigma-Aldrich

Product number: 664030
Product name: 3-Fluoro-4-methylbenzonitrile
Purity: 97%
Packaging: 5g
Price: $51.6
Updated: 2023/06/20

TCI Chemical

Product number: F0424
Product name: 3-Fluoro-p-tolunitrile
Purity: >98.0%(GC)
Packaging: 5g
Price: $49
Updated: 2025/07/31

TRC

Product number: F597788
Product name: 3-Fluoro-4-methylbenzonitrile
Packaging: 5g
Price: $60
Updated: 2021/12/16

SynQuest Laboratories

Product number: 3737-3-74
Product name: 3-Fluoro-4-methylbenzonitrile
Purity: 98%
Packaging: 2g
Price: $10
Updated: 2021/12/16

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3-Fluoro-4-methylbenzonitrile Chemical Properties,Usage,Production

Chemical Properties

white to light yellow crystal powder

Uses

3-Fluoro-4-methylbenzonitrile is a nitrile derivative that can be used as a pharmaceutical intermediate.

Synthesis

942282-44-2

170572-49-3

General procedure for the synthesis of 3-fluoro-4-methylbenzonitrile from methyl 2-(4-cyano-2-fluorophenyl)acetate: 1.0 g of methyl 2-(4-cyano-2-fluorophenyl)acetate was added to a 50 mL four-necked flask, followed by the addition of 0.19 g of water, 1.15 g of 95% anhydrous calcium chloride and 15 g of N,N-dimethylacetamide. The mixture was stirred and heated to 140°C to 145°C and the reaction was carried out for 20 to 24 hours (the progress of the reaction was monitored by HPLC to ensure >99% conversion). Upon completion of the reaction, the mixture was cooled to 60°C to 70°C and subsequently concentrated under reduced pressure. Finally, the product was purified by column chromatography to afford 0.62 g of 3-fluoro-4-methylbenzonitrile as a light yellow solid in 89.0% yield.

References

[1] Patent: CN107673994, 2018, A. Location in patent: Paragraph 0063; 0064; 0065

3-Fluoro-4-methylbenzonitrile Preparation Products And Raw materials

Raw materials

Preparation Products

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3-Fluoro-4-methylbenzonitrile Suppliers

Americas 1 China 231 Europe 4 France 1 Germany 5 India 5 Italy 1 Japan 2 Jordan 1 Slovakia 1 South Korea 1 Switzerland 1 Ukraine 4 United Kingdom 20 United States 40 Global 318

Shanghai Harvest Chemical Industrial Co., Ltd.

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Email: wzy@shjypharm.com
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Anhui Jianzhu Biotechnology Co., Ltd.

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J & K SCIENTIFIC LTD.

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Alfa Aesar

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TCI (Shanghai) Development Co., Ltd.

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Energy Chemical

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Shijiazhuang Sdyano Fine Chemical Co., Ltd.

Tel: 0311-89250318 031166536426
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Wuhan Chemwish Technology Co., Ltd

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View Lastest Price from 3-Fluoro-4-methylbenzonitrile manufacturers

Hebei Chuanghai Biotechnology Co., Ltd

Product: 3-Fluoro-4-methylbenzonitrile 170572-49-3
Price: US $0.00-0.00/KG
Min. Order: 1KG
Purity: 99%
Supply Ability: 20 mt
Release date: 2024-11-13

Career Henan Chemical Co

Product: 3-Fluoro-4-methylbenzonitrile 170572-49-3
Price: US $1.00/KG
Min. Order: 1KG
Purity: 98%
Supply Ability: 1kg,5kg,100kg
Release date: 2019-07-04

170572-49-3, 3-Fluoro-4-methylbenzonitrileRelated Search:

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Building Blocks

C8 to C9

Nitrogen Compounds

Organic Building Blocks

Cyanides/Nitriles

Phenyls & Phenyl-Het

Benzene nitrile

Miscellaneous

HALIDE

NITRILE

Aromatic Nitriles

Fluorin-contained Benzonitrile series