Cas no 261944-04-1 (2,6-Difluoro-3-methylphenylacetonitrile)

2,6-Difluoro-3-methylphenylacetonitrile is a fluorinated aromatic nitrile compound characterized by its distinct substitution pattern, featuring fluorine atoms at the 2- and 6-positions and a methyl group at the 3-position of the phenyl ring. This structural configuration enhances its reactivity and utility as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The electron-withdrawing fluorine substituents contribute to its stability and influence its reactivity in nucleophilic substitution and coupling reactions. Its high purity and well-defined molecular structure make it a reliable building block for constructing complex heterocyclic frameworks and fine-tuning physicochemical properties in target molecules.

2,6-Difluoro-3-methylphenylacetonitrile structure

261944-04-1 structure

Product Name:2,6-Difluoro-3-methylphenylacetonitrile

CAS No:261944-04-1

MF:C₉H₇F₂N

MW:167.155389070511

MDL:MFCD01631337

CID:852291

PubChem ID:2774158

Update Time:2025-10-19

2,6-Difluoro-3-methylphenylacetonitrile Chemical and Physical Properties

Names and Identifiers

- 2,6-Difluoro-3-methylphenylacetonitrile
- (2,6-difluoro-3-methyl-phenyl)-acetonitrile
- 2-(2,6-difluoro-3-methylphenyl)ethanenitrile
- AC1MCO0V
- AC1Q2M48
- CTK7C9642
- SureCN955712
- SCHEMBL955712
- 261944-04-1
- GFRRAKSFMPQZLY-UHFFFAOYSA-N
- CS-0450312
- D96274
- Benzeneacetonitrile, 2,6-difluoro-3-methyl-
- 2-(2,6-difluoro-3-methylphenyl)acetonitrile
- AKOS006227776
- EN300-1839672
- MFCD01631337
- DTXSID00378918
- PS-8734
- MDL： MFCD01631337
- Inchi： 1S/C9H7F2N/c1-6-2-3-8(10)7(4-5-12)9(6)11/h2-3H,4H2,1H3
- InChI Key： GFRRAKSFMPQZLY-UHFFFAOYSA-N
- SMILES： FC1C(C)=CC=C(C=1CC#N)F

Computed Properties

Exact Mass: 167.05465555g/mol
Monoisotopic Mass: 167.05465555g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 1
Heavy Atom Count: 12
Rotatable Bond Count: 1
Complexity: 196
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 2.1
Topological Polar Surface Area: 23.8?2

2,6-Difluoro-3-methylphenylacetonitrile Security Information

Hazard Statement： Toxic
Hazardous Material transportation number：3276
Hazard Category Code： 20/21/22-36/37/38
Safety Instruction： 26-36/37/39
Hazardous Material Identification：
HazardClass：TOXIC

2,6-Difluoro-3-methylphenylacetonitrile Pricemore >>

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abcr	AB129853-1 g	2,6-Difluoro-3-methylphenylacetonitrile; 98%	261944-04-1	1g	€57.80	2023-05-10
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