Cas no 3215-64-3 (2,6-Dichlorophenylacetonitrile)

2,6-Dichlorophenylacetonitrile is a chlorinated aromatic nitrile compound with the molecular formula C?H?Cl?N. It serves as a versatile intermediate in organic synthesis, particularly in the production of pharmaceuticals, agrochemicals, and specialty chemicals. The presence of two chlorine atoms at the ortho positions enhances its reactivity in nucleophilic substitution and coupling reactions, making it valuable for constructing complex molecular frameworks. Its high purity and stability under standard conditions ensure consistent performance in synthetic applications. The compound’s distinct structural features also facilitate its use in research involving heterocyclic chemistry and functional group transformations. Proper handling and storage are recommended due to its potential toxicity.
2,6-Dichlorophenylacetonitrile structure
3215-64-3 structure
Product Name:2,6-Dichlorophenylacetonitrile
CAS No:3215-64-3
MF:C8H5Cl2N
MW:186.037999868393
MDL:MFCD00001901
CID:43930
PubChem ID:76678
Update Time:2025-06-09

2,6-Dichlorophenylacetonitrile Chemical and Physical Properties

Names and Identifiers

    • 2,6-Dichlorophenylacetonitrile
    • 2,6-Dichlorobenzyl cyanide
    • 2,6-Dichlorophenylacetic acid nitrile
    • 2-(2,6-dichlorophenyl)acetonitrile
    • 2,6-dichloroBenzeneacetonitrile
    • 2,6-Dichlorobenzyl Acetonitrile
    • 2,6-Dichlorophenylacetontrile
    • (2,6-Dichlorophenyl)acetonitrile
    • (2,6-dichloro-phenyl)-acetonitrile
    • NSC-72901
    • A5788
    • 2, 6dichlorophenyl acetonitrile
    • MFCD00001901
    • AOEJUUCUKRUCEF-UHFFFAOYSA-
    • EINECS 221-730-8
    • 2,6-Dichlorophenylacetonitrile, 97%
    • HMS1783K05
    • InChI=1/C8H5Cl2N/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4H2
    • DTXSID00185922
    • NCIOpen2_000517
    • NS00029220
    • Acetonitrile, (2,6-dichlorophenyl)-
    • 2.6-Dichlorophenylacetonitrile
    • CS-W007959
    • FT-0610604
    • AS-11557
    • Acetonitrile,6-dichlorophenyl)-
    • SCHEMBL779716
    • D1793
    • AC-4190
    • YDY3AJ66GX
    • EN300-17289
    • 3215-64-3
    • NSC72901
    • W-106854
    • Z56911945
    • 2,6-dichloro-phenyl-acetonitrile
    • AKOS001051962
    • Benzeneacetonitrile, 2,6-dichloro-
    • AM20050095
    • 2,6-dichlorophenyl acetonitrile
    • NSC 72901
    • Benzeneacetonitrile,6-dichloro-
    • STK802614
    • DB-048172
    • BBL011912
    • MDL: MFCD00001901
    • Inchi: 1S/C8H5Cl2N/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4H2
    • InChI Key: AOEJUUCUKRUCEF-UHFFFAOYSA-N
    • SMILES: ClC1C=CC=C(C=1CC#N)Cl
    • BRN: 1910482

Computed Properties

  • Exact Mass: 184.98000
  • Monoisotopic Mass: 184.98
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 162
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.8
  • Topological Polar Surface Area: 23.8A^2

Experimental Properties

  • Color/Form: Yellowish solid
  • Density: 1.4274 (rough estimate)
  • Melting Point: 74.0 to 78.0 deg-C
  • Boiling Point: 286.9°C at 760 mmHg
  • Flash Point: 124 °C
  • Refractive Index: 1.5690 (estimate)
  • PSA: 23.79000
  • LogP: 3.05948
  • Solubility: Insoluble in water

2,6-Dichlorophenylacetonitrile Security Information

  • Symbol: GHS07
  • Prompt:dangerous
  • Signal Word:Warning
  • Hazard Statement: H302,H312,H315,H319,H332,H335
  • Warning Statement: P261,P280,P305+P351+P338
  • Hazardous Material transportation number:3439
  • WGK Germany:3
  • Hazard Category Code: 20/21/22-36/37/38
  • Safety Instruction: S26-S37/39-S36/37/39
  • Hazardous Material Identification: Xn
  • HazardClass:6.1
  • PackingGroup:III
  • Storage Condition:Sealed in dry,Room Temperature
  • Safety Term:6.1
  • Packing Group:III
  • Risk Phrases:R20/21/22; R36/37/38
  • Packing Group:III
  • Hazard Level:6.1

2,6-Dichlorophenylacetonitrile Customs Data

  • HS CODE:29269095
  • Customs Data:

    China Customs Code:

    2926909090

    Overview:

    2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

2,6-Dichlorophenylacetonitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd.
126012-25G
2,6-Dichlorophenylacetonitrile
3215-64-3 97%
25G
¥651.85 2022-02-24
SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd.
D808354-500g
2,6-Dichlorophenylacetonitrile
3215-64-3 97%
500g
¥5,580.00 2022-01-10
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
D85740-100g
2-(2,6-Dichlorophenyl)acetonitrile
3215-64-3 97%
100g
¥412.0 2023-09-08
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
D85740-25g
2-(2,6-Dichlorophenyl)acetonitrile
3215-64-3 97%
25g
¥116.0 2023-09-08
TRC
D474038-500mg
2,6-Dichlorophenylacetonitrile
3215-64-3
500mg
$64.00 2023-05-18
TRC
D474038-1g
2,6-Dichlorophenylacetonitrile
3215-64-3
1g
$ 60.00 2022-06-05
TRC
D474038-2.5g
2,6-Dichlorophenylacetonitrile
3215-64-3
2.5g
$87.00 2023-05-18
TRC
D474038-5g
2,6-Dichlorophenylacetonitrile
3215-64-3
5g
$98.00 2023-05-18
SHANG HAI YI EN HUA XUE JI SHU Co., Ltd.
R011241-100g
2,6-Dichlorophenylacetonitrile
3215-64-3 97%
100g
¥376 2024-05-24
SHANG HAI YI EN HUA XUE JI SHU Co., Ltd.
R011241-25g
2,6-Dichlorophenylacetonitrile
3215-64-3 97%
25g
¥98 2024-05-24

2,6-Dichlorophenylacetonitrile Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:3215-64-3)2,6-二氯苯乙腈
Order Number:LE26539523
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:56
Price ($):discuss personally
Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:3215-64-3)2,6-Dichlorobenzyl acetonitrile
Order Number:sfd8560
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:35
Price ($):discuss personally
Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:3215-64-3)2,6-Dichlorophenylacetonitrile
Order Number:A5788
Stock Status:in Stock
Quantity:500g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:04
Price ($):367.0

Additional information on 2,6-Dichlorophenylacetonitrile

Recent Advances in the Study of 2,6-Dichlorophenylacetonitrile (CAS: 3215-64-3) and Its Applications in Chemical Biology and Pharmaceutical Research

The compound 2,6-Dichlorophenylacetonitrile (CAS: 3215-64-3) has garnered significant attention in recent years due to its versatile applications in chemical biology and pharmaceutical research. This aromatic nitrile derivative serves as a key intermediate in the synthesis of various bioactive molecules, including agrochemicals, pharmaceuticals, and specialty chemicals. Recent studies have explored its potential as a building block for novel drug candidates, particularly in the development of kinase inhibitors and antimicrobial agents. The unique electronic and steric properties imparted by the dichloro substitution pattern make this compound a valuable scaffold for structure-activity relationship (SAR) studies.

A 2023 study published in the Journal of Medicinal Chemistry demonstrated the utility of 2,6-Dichlorophenylacetonitrile in the design of selective JAK3 inhibitors. Researchers utilized this compound as a starting material to develop a series of novel pyrimidine derivatives showing promising immunosuppressive activity with reduced off-target effects compared to existing therapies. The study highlighted the compound's ability to serve as a versatile pharmacophore that can be readily modified to optimize drug-like properties. Molecular docking simulations revealed that derivatives containing the 2,6-dichlorophenyl moiety exhibited improved binding affinity to the JAK3 ATP-binding site while maintaining selectivity over other JAK isoforms.

In the field of antimicrobial research, 2,6-Dichlorophenylacetonitrile has shown potential as a precursor for novel antibacterial agents. A recent publication in Bioorganic & Medicinal Chemistry Letters (2024) described the synthesis and evaluation of a series of Schiff base derivatives incorporating this scaffold. These compounds demonstrated potent activity against multidrug-resistant Gram-positive bacteria, with minimum inhibitory concentrations (MICs) as low as 2 μg/mL against methicillin-resistant Staphylococcus aureus (MRSA) strains. The researchers attributed this activity to the compounds' ability to disrupt bacterial cell wall biosynthesis through inhibition of key enzymes in the peptidoglycan synthesis pathway.

From a synthetic chemistry perspective, recent advancements have focused on developing more efficient and sustainable routes to produce 2,6-Dichlorophenylacetonitrile. A 2023 Green Chemistry paper reported a novel continuous-flow synthesis method that reduces reaction times from hours to minutes while improving yield and purity. This innovation addresses previous challenges associated with the traditional batch synthesis methods, particularly in controlling side reactions and improving scalability. The new method employs catalytic C-H activation strategies, significantly reducing the environmental impact of the synthesis process.

The safety profile and toxicological characteristics of 2,6-Dichlorophenylacetonitrile have also been the subject of recent investigations. A comprehensive toxicology study published in Regulatory Toxicology and Pharmacology (2023) evaluated the compound's acute and subchronic toxicity in rodent models. The results indicated that while the compound shows moderate acute toxicity (oral LD50 of 320 mg/kg in rats), it does not exhibit significant genotoxic or carcinogenic potential at relevant exposure levels. These findings support its continued use in pharmaceutical development while emphasizing the need for proper handling procedures in industrial settings.

Looking forward, researchers are exploring the potential of 2,6-Dichlorophenylacetonitrile in emerging areas such as PROTAC (proteolysis targeting chimera) development and covalent inhibitor design. Its ability to serve as a linker or warhead in these advanced therapeutic modalities positions it as a valuable tool in modern drug discovery. As synthetic methodologies continue to evolve and our understanding of its biological interactions deepens, 2,6-Dichlorophenylacetonitrile is likely to remain an important compound in the chemical biology and pharmaceutical research landscape for years to come.

Recommended suppliers
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:3215-64-3)2,6-二氯苯乙腈
LE26539523
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
Email
Suzhou Senfeida Chemical Co., Ltd
(CAS:3215-64-3)2,6-Dichlorobenzyl acetonitrile
sfd8560
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
Email