| Identification | More | [Name]
2,6-Dichlorobenzyl acetonitrile | [CAS]
3215-64-3 | [Synonyms]
2,6-dichlorobenzyl acetonitrile
2,6-DICHLOROBENZYL CYANIDE
2,6-DICHLOROPHENYLACETONITRILE
2,6-Dichlorobenzeneacetonitrile
Acetonitrile, (2,6-dichlorophenyl)-
2,6-Dichlorophenylacetic acid nitrile
2 6-DICHLOROBENZYL CYANIDE 99% (GC)
2,6-DICHLOROPHENYLACETONTRILE
2,6-Dichloropenzyl Acetonitrile
2,6-Dichlorophenylacetonitrile,97%
2,6-DICHLOROPHENYLACETONITRILE, 99+%
Benzeneacetonitrile, 2,6-dichloro- | [EINECS(EC#)]
221-730-8 | [Molecular Formula]
C8H5Cl2N | [MDL Number]
MFCD00001901 | [Molecular Weight]
186.04 | [MOL File]
3215-64-3.mol |
| Chemical Properties | Back Directory | [Appearance]
White to light yellow crystalline powder | [Melting point ]
73-75 °C (lit.) | [Boiling point ]
306.06°C (rough estimate) | [density ]
1.4274 (rough estimate) | [refractive index ]
1.5690 (estimate) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
soluble in Methanol | [form ]
Crystalline Powder | [color ]
White to light yellow | [BRN ]
1910482 | [Exposure limits]
NIOSH: IDLH 25 mg/m3 | [InChI]
1S/C8H5Cl2N/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4H2 | [InChIKey]
AOEJUUCUKRUCEF-UHFFFAOYSA-N | [SMILES]
Clc1cccc(Cl)c1CC#N | [CAS DataBase Reference]
3215-64-3(CAS DataBase Reference) | [NIST Chemistry Reference]
2,6-Dichlorophenylacetic acid nitrile(3215-64-3) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [RIDADR ]
3439 | [WGK Germany ]
3
| [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29269095 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2 |
| Hazard Information | Back Directory | [Chemical Properties]
White to light yellow crystalline powder | [Uses]
2,6-Dichlorophenylacetonitrile was found to degrade rapidly in non-sterile soils but not in azide treated soils. | [General Description]
2,6-Dichlorophenylacetonitrile was found to degrade rapidly in non-sterile soils but not in azide treated soils. | [Synthesis]
Example 13-(2,6-dichloro-phenyl)-6-(2,4-difluoro-phenylamino)-1-diethyl-pyrazolo[1,5-a]pyrimidin-2-one was synthesized as follows:
Step 1 (Synthesis of 2,6-dichlorophenylacetonitrile): a solution of potassium cyanide (26 g, 400.00 mmol) and 18-crown-6 (0.05 g) in water (60 mL) was added to a 500 mL round bottom flask. Subsequently, an ethanol (300 mL) solution of 2,6-dichlorobenzyl chloride (40 g, 206.24 mmol) was added to this solution. The reaction mixture was stirred under reflux conditions for 1 to 3 hours and the progress of the reaction was monitored by thin layer chromatography (TLC, unfolding agent ratio ethyl acetate: petroleum ether = 1:4). After completion of the reaction, the mixture was concentrated to dryness using a rotary evaporator. The concentrated residue was transferred to a dispensing funnel and washed with water (5 x 100 mL) to afford 35.4 g (95% yield) of 2-(2,6-dichlorophenyl)acetonitrile as a white solid. The product can be used directly in the next reaction without further purification. | [References]
[1] Patent: WO2007/15866, 2007, A2. Location in patent: Page/Page column 29; 31 |
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