2,5-Dichloro-4,6-dimethylnicotinonitrile
- CAS No.
- 91591-63-8
- Chemical Name:
- 2,5-Dichloro-4,6-dimethylnicotinonitrile
- Synonyms
- 2,5-Dichloro-4,6-dimethylnicotinonitrile;3-Cyano-2,5-dichloro-4,6-dimethylpyridine;2,5-Dichloro-4,6-dimethylnicotinonitrile 95+%;2,5-DICHLORO-4,6-DIMETHYLPYRIDINE-3-CARBONITRILE;2,5-Dichloro-4,6-diMethyl-3-pyridinecarbonitrile;3-Pyridinecarbonitrile,2,5-dichloro-4,6-dimethyl-;2,5-Dichloro-4,6-dimethylpyridine-3-carbonitrile, 3-Cyano-2,5-dichloro-4,6-dimethylpyridine
- CBNumber:
- CB5352041
- Molecular Formula:
- C8H6Cl2N2
- Molecular Weight:
- 201.05
- MDL Number:
- MFCD00052631
- MOL File:
- 91591-63-8.mol
- MSDS File:
- SDS
| Melting point | 82 °C |
|---|---|
| Boiling point | 304.6±37.0 °C(Predicted) |
| Density | 1.36 |
| storage temp. | under inert gas (nitrogen or Argon) at 2-8°C |
| form | solid |
| pka | -2.79±0.10(Predicted) |
| color | White |
| InChI | InChI=1S/C8H6Cl2N2/c1-4-6(3-11)8(10)12-5(2)7(4)9/h1-2H3 |
| InChIKey | UCGWYTUBYASPFG-UHFFFAOYSA-N |
| SMILES | C1(Cl)=NC(C)=C(Cl)C(C)=C1C#N |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|---|---|
| Signal word | Warning |
| Hazard statements | H302-H315-H319-H335 |
| Precautionary statements | P261-P305+P351+P338 |
| Hazard Codes | Xi,Xn |
| Risk Statements | 20/21/22-36/37/38 |
| Safety Statements | 26-36/37/39 |
| HazardClass | IRRITANT |
| HS Code | 2933399990 |
| REACH Registrations | Active |
2,5-Dichloro-4,6-dimethylnicotinonitrile price
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Usbiological | 270772 | 2,5-Dichloro-4,6-dimethylnicotinonitrile Asreported | 91591-63-8 | 1g | $337 | 2026-06-03 | Buy |
| Usbiological | 270772 | 2,5-Dichloro-4,6-dimethylnicotinonitrile Asreported | 91591-63-8 | 2g | $468 | 2026-06-03 | Buy |
| Usbiological | 270772 | 2,5-Dichloro-4,6-dimethylnicotinonitrile Asreported | 91591-63-8 | 5g | $686 | 2026-06-03 | Buy |
| Usbiological | 270772 | 2,5-Dichloro-4,6-dimethylnicotinonitrile Asreported | 91591-63-8 | 10g | $981 | 2026-06-03 | Buy |
| Usbiological | 270772 | 2,5-Dichloro-4,6-dimethylnicotinonitrile Asreported | 91591-63-8 | 25g | $1646 | 2026-06-03 | Buy |
2,5-Dichloro-4,6-dimethylnicotinonitrile Chemical Properties, Uses, Production
Uses
2,5-Dichloro-4,6-dimethyl-3-pyridinecarbonitrile, can be used for the synthesis of a selective muscarinic receptor 4 (M4) positive allosteric modulator called ML253, which is a potent and brain penetrant compound that is active in a preclinical model of schizophrenia.
Synthesis
Phosphoryl chloride (973.2g), tetramethylammonium chloride (67.3g) and compound of Preparation 2 (227.1g) were added to dichloromethane (500g). The suspension was heated to 85°C and stirred for 5 hours. Excess of phosphoryl chloride was removed by distillation in vacuo. The reaction mixture was cooled below 30 °C and diluted with dichloromethane. The resulting solution was added to water (1350g) at room temperature and stirred for 30 minutes. The lower organic phase was separate and the aqueous phase extracted with dichloromethane. The organic phases were combined, washed with water and then treated with charcoal. The charcoal was filtered and a solvent swap to heptane was performed by distillation at atmospheric pressure. The solution was filtered at 50 °C and then cooled to 30 °C. On further cooling to 0°C crystals were obtained. These were isolated by filtration, washed twice with heptane. After drying at 50°C the desired product was obtained typically at 88-91 % . The above process was repeated with a reduction in dichloromethane during crystallisation and adding some methanol. The resulting plate-like crystals were more easily transferred for subsequent use.
References
[1] Patent: WO2013/89573, 2013, A1. Location in patent: Page/Page column 15-16
[2] MedChemComm, 2015, vol. 6, # 11, p. 1998 - 2003
[3] Chemistry of Heterocyclic Compounds, 2004, vol. 40, # 3, p. 308 - 314
[4] Patent: EP1845097, 2007, A1. Location in patent: Page/Page column 6-7
2,5-Dichloro-4,6-dimethylnicotinonitrile Preparation Products And Raw materials
Raw materials
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Changzhou Qinuo Chemical Co., Ltd.Co., Ltd. | 0519-0519-83812535 | sales@qinuochem.com | China | 287 | 60 |
| Chongqing Xingcan Pharmaceutical Technology Co., Ltd. | 13594048950 19923294409 | xingcanyaoye@sina.com | China | 1591 | 58 |
| Hangzhou Chemtrue Bio-Tech Co.,Ltd. | 19967494293 | sales@chemtrue-bio.com | China | 303 | 58 |
| Zhangjiagang Xikai Chemical Co.,Ltd | 051255701600 13962289590 | sales@xikaichem.com | China | 312 | 58 |
| Jinan Guoding Pharmaceutical Technology Co., Ltd. | 053167801621 15665775653 | sales@guodingpharma.com | China | 479 | 58 |
| Shanghai Kuanglin Tech LTD Co | 13701867986 | 13701867986@163.com | China | 100 | 58 |
| Jinan Dexinjia Bio&Tech Co., Ltd | 0531-82375880 15098789112 | 3845379039@qq.com | China | 1458 | 58 |
| Shanghai Yatan Pharmaceutical Research and Development Co. LTD | 15512780135 | songqw@neutanpharma.com | China | 177 | 58 |
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
| Energy Chemical | 400-0056266 | sales8178@energy-chemical.com | China | 44850 | 61 |
View Latest Price from 2,5-Dichloro-4,6-dimethylnicotinonitrile manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2026-08-25 | 2,5-Dichloro-4,6-dimethylnicotinonitrile
91591-63-8
|
$2.20-8.80 | 1kg | 99% | 100kg | ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD | |
 |
2026-06-30 | 2,5-DICHLORO-4,6-DIMETHYLNICOTINONITRILE
91591-63-8
|
1kg | 99% | 10000KGS | Shaanxi Dideu New Materials Co. Ltd | ||
 |
2025-10-29 | 2,5-DICHLORO-4,6-DIMETHYLNICOTINONITRILE
91591-63-8
|
1kg | 98% | 2000kg | Chongqing Chemdad Co., Ltd |
-
- 2,5-Dichloro-4,6-dimethylnicotinonitrile
91591-63-8
- $2.20-8.80
- 99%
- ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD
-
- 2,5-DICHLORO-4,6-DIMETHYLNICOTINONITRILE
91591-63-8
- $0.00
- 99%
- Shaanxi Dideu New Materials Co. Ltd
-
- 2,5-DICHLORO-4,6-DIMETHYLNICOTINONITRILE
91591-63-8
- $0.00
- 98%
- Chongqing Chemdad Co., Ltd
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