ChemicalBook > CAS DataBase List > 3-Fluoro-4-methylbenzonitrile

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
ChemScene
Product number
CS-W002443
Product name
3-Fluoro-4-methylbenzonitrile
Packaging
100g
Price
$90
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

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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:

4-Nitrobenzonitrile Ethoxymethylenemalononitrile FENBUCONAZOLE 3-(Trifluoromethyl)benzaldehyde Fipronil 3-Fluoro-4-nitrobenzonitrile Benzotrifluoride Phenylmethylsulfonyl fluoride Tetrafluoroterephthalonitrile p-Tolunitrile Fluorine 4-CYANO-2-FLUOROBENZOIC ACID 2-FLUOROTEREPHTHALONITRILE Benzonitrile, 2,3-difluoro-4-methyl- (9CI) 3-FLUORO-4-(TRIFLUOROMETHYL)BENZONITRILE 4-CYANO-2,3,5,6-TETRAFLUOROBENZOTRIFLUORIDE 2,5-Difluoro-4-Methylbenzonitrile 3-FLUORO-5-METHYLBENZONITRILE

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