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5-Fluoro-2-methylbenzonitrile

CAS No.
77532-79-7
Chemical Name:
5-Fluoro-2-methylbenzonitrile
Synonyms
5-Fluoro-2-methylben;5-FLUORO-O-TOLUNITRILE;2-cyano-4-fluorotoluene;Methyl-5-fluorobenzonitrile;5-FLUORO-2-METHYLBENZONITRILE;2-methyl-5-fluorobenzonitrile;5-Fluoro-o-tolunitrile (CN=1);5-Fluoro-2-methylbenzonitrile>Benzonitrile, 5-fluoro-2-methyl-;5-Fluoro-2-methylbenzonitrile 98%
CBNumber:
CB7286391
Molecular Formula:
C8H6FN
Molecular Weight:
135.14
MDL Number:
MFCD00042295
MOL File:
77532-79-7.mol
MSDS File:
SDS
TDS File:
TDS
Last updated:2026-05-20 15:43:54
Product description Number Pack Size Price
5-Fluoro-2-methylbenzonitrile 98% 364916 5g $31.4
5-Fluoro-2-methylbenzonitrile >98.0%(GC) F0747 5g $279
5-Fluoro-2-methylbenzonitrile >98.0%(GC) F0747 25g $104
2-Cyano-4-fluorotoluene ≥98%(HPLC) 27615 1G $18.53
2-Cyano-4-fluorotoluene ≥98%(HPLC) 27615 5G $32.95
More product size

5-Fluoro-2-methylbenzonitrile Properties

Melting point 43-45 °C (lit.)
Boiling point 230°C (rough estimate)
Density 1.1203 (estimate)
Flash point 175 °F
storage temp. Sealed in dry,Room Temperature
solubility soluble in Methanol
form powder to crystal
color White to Light yellow to Light orange
BRN 7700578
InChI InChI=1S/C8H6FN/c1-6-2-3-8(9)4-7(6)5-10/h2-4H,1H3
InChIKey IBRODYNXELBTJC-UHFFFAOYSA-N
SMILES C(#N)C1=CC(F)=CC=C1C
CAS DataBase Reference 77532-79-7(CAS DataBase Reference)
NIST Chemistry Reference 5-Fluoro-2-methylbenzonitrile(77532-79-7)
UNSPSC Code 12352100
NACRES NA.22

SAFETY

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictogramsGHS hazard pictograms
GHS05,GHS07
Signal word  Danger
Hazard statements  H315-H318-H335
Precautionary statements  P261-P280-P305+P351+P338
target organs Respiratory system
PPE dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes  Xi,T
Risk Statements  37/38-41
Safety Statements  26-39
RIDADR  3276
WGK Germany  3
Hazard Note  Toxic
HazardClass  6.1
PackingGroup  III
HS Code  29269090
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Dam. 1
Skin Irrit. 2
STOT SE 3
NFPA 704
1
2 0

5-Fluoro-2-methylbenzonitrile price More Price(51)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 364916 5-Fluoro-2-methylbenzonitrile 98% 77532-79-7 5g $31.4 2023-06-20 Buy
TCI Chemical F0747 5-Fluoro-2-methylbenzonitrile >98.0%(GC) 77532-79-7 5g $279 2026-04-30 Buy
TCI Chemical F0747 5-Fluoro-2-methylbenzonitrile >98.0%(GC) 77532-79-7 25g $104 2023-06-20 Buy
Chem-Impex 27615 2-Cyano-4-fluorotoluene ≥98%(HPLC) 77532-79-7 1G $18.53 2026-05-19 Buy
Chem-Impex 27615 2-Cyano-4-fluorotoluene ≥98%(HPLC) 77532-79-7 5G $32.95 2026-05-19 Buy
Product number Packaging Price Buy
364916 5g $31.4 Buy
F0747 5g $279 Buy
F0747 25g $104 Buy
27615 1G $18.53 Buy
27615 5G $32.95 Buy

5-Fluoro-2-methylbenzonitrile Chemical Properties,Uses,Production

Uses

5-Fluoro-2-methylbenzonitrile is a yellow, low-melting-point solid that can be used as an intermediate in organic and pharmaceutical synthesis.

Chemical Properties

yellow low melting solid

General Description

5-Fluoro-2-methylbenzonitrile is an aryl fluorinated building block.

Synthesis

Benzaldehyde, 5-fluoro-2-methyl-, oxime

953422-44-1

5-Fluoro-2-methylbenzonitrile

77532-79-7

The general procedure for the synthesis of 5-fluoro-2-methylbenzonitrile from the compound (CAS: 953422-44-1) was as follows: aldoxime (1 mmol) and imidazole (3 mmol) were dissolved in anhydrous dichloromethane (10-15 mL) under nitrogen protection, added to a pre-oven-dried round-bottomed flask, and the reaction mixture was stirred at room temperature.After 20 min, the reaction mixture was stirred via syringe under After 20 min, trifluoromethanesulfonic anhydride (0.4-1.0 mmol) was slowly added dropwise via syringe under nitrogen protection and the reaction mixture was continued to be stirred at room temperature for a specific time (see Table 1). The reaction process was monitored by thin layer chromatography (TLC) and/or gas chromatography-mass spectrometry (GC-MS). Upon completion of the reaction, the reaction was quenched with dilute sodium bicarbonate (NaHCO3) solution and the product was extracted with dichloromethane. The solvent was removed by concentration under reduced pressure to give the crude product, which was subsequently purified by preparative thin-layer chromatography (TLC) using a solvent mixture of ethyl acetate-hexane (80:20) to give the target nitrile analogs in 61-88% yield. The structure of the products was confirmed by melting point (mp) or boiling point (bp), TLC, infrared spectroscopy (IR), GC-MS, 1H nuclear magnetic resonance (NMR), and 13C NMR data in comparison with authentic samples commercially purchased or prepared by literature methods.

References

[1] Tetrahedron Letters, 2011, vol. 52, # 40, p. 5184 - 5187

953422-44-1
77532-79-7
Synthesis of 5-Fluoro-2-methylbenzonitrile from Benzaldehyde, 5-fluoro-2-methyl-, oxime
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View Lastest Price from 5-Fluoro-2-methylbenzonitrile manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
5-Fluoro-2-methylbenzonitrile pictures 2025-04-04 5-Fluoro-2-methylbenzonitrile
77532-79-7
US $0.00-0.00 / KG 1KG 98% 1ton Henan Aochuang Chemical Co.,Ltd.
5-Fluoro-2-methylbenzonitrile pictures 2020-01-08 5-Fluoro-2-methylbenzonitrile
77532-79-7
US $1.00 / KG 1KG 98%HPLC 10 tons/month Career Henan Chemical Co
Benzonitrile, 5-fluoro-2-methyl- (9CI) 5-Fluoro-2-methylbenzonitrile,98% 5-Fluoro-2-methylbenzonitrile 98% 5-Fluoro-o-tolunitrile (CN=1) 2-cyano-4-fluorotoluene 2-methyl-5-fluorobenzonitrile 5-Fluoro-2-methylben 2-Cyano-4-fluorotoluene, 5-Fluoro-o-tolunitrile Methyl-5-fluorobenzonitrile 5-FLUORO-2-METHYLBENZONITRILE 5-FLUORO-O-TOLUNITRILE 5-Fluoro-2-methylbenzonitrile> Benzonitrile, 5-fluoro-2-methyl- 77532-79-7 Building Blocks C8 to C9 Cyanides/Nitriles Nitrogen Compounds Organic Building Blocks Fluorine series C8 to C9 Cyanides/Nitriles Nitrogen Compounds Miscellaneous NITRILE Aromatic Nitriles