2-Chloro-4,6-dimethylnicotinonitrile
2-Chloro-4,6-dimethylnicotinonitrile structure
|
Common Name | 2-Chloro-4,6-dimethylnicotinonitrile | ||
|---|---|---|---|---|
| CAS Number | 14237-71-9 | Molecular Weight | 166.608 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 305.3±37.0 °C at 760 mmHg | |
| Molecular Formula | C8H7ClN2 | Melting Point | 98-99°C | |
| MSDS | Chinese USA | Flash Point | 138.5±26.5 °C | |
| Symbol |
GHS05, GHS06 |
Signal Word | Danger | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-Chloro-4,6-dimethylpyridine-3-carbonitrile |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 305.3±37.0 °C at 760 mmHg |
| Melting Point | 98-99°C |
| Molecular Formula | C8H7ClN2 |
| Molecular Weight | 166.608 |
| Flash Point | 138.5±26.5 °C |
| Exact Mass | 166.029770 |
| PSA | 36.68000 |
| LogP | 2.06 |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.547 |
| InChIKey | RETJKTAVEQPNMH-UHFFFAOYSA-N |
| SMILES | Cc1cc(C)c(C#N)c(Cl)n1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS05, GHS06 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H301-H315-H318-H335 |
| Precautionary Statements | P261-P280-P301 + P310-P305 + P351 + P338 |
| Personal Protective Equipment | Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges |
| Hazard Codes | T:Toxic; |
| Risk Phrases | R25;R37/38;R41 |
| Safety Phrases | S26-S36/37/39-S45 |
| RIDADR | 3276 |
| Packaging Group | III |
| Hazard Class | 6.1 |
| HS Code | 2933399090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~97%
2-Chloro-4,6-di... CAS#:14237-71-9 |
| Literature: Klunder, Janice M.; Hargrave, Karl D.; West, MaryAnn; Cullen, Ernest; Pal, Kollol; et al. Journal of Medicinal Chemistry, 1992 , vol. 35, # 10 p. 1887 - 1897 |
|
~96%
2-Chloro-4,6-di... CAS#:14237-71-9 |
| Literature: Waly, Mohamed A.; El-Hawary, Ibrahim I.; Hamama, Wafaa S.; Zoorob, Hanafi H. Journal of Heterocyclic Chemistry, 2013 , vol. 50, # SUPPL.1 p. E12-E17 |
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~78%
2-Chloro-4,6-di... CAS#:14237-71-9 |
| Literature: Dmitrieva; Dyadyuchenko; Strelkov; Kaigorodova Chemistry of Heterocyclic Compounds, 2009 , vol. 45, # 9 p. 1047 - 1052 |
|
~%
2-Chloro-4,6-di... CAS#:14237-71-9 |
| Literature: Journal of Heterocyclic Chemistry, , vol. 50, # SUPPL.1 p. E12-E17 |
|
~%
2-Chloro-4,6-di... CAS#:14237-71-9 |
| Literature: Journal of the Indian Chemical Society, , vol. 73, # 2-3 p. 141 - 143 |
|
~%
2-Chloro-4,6-di... CAS#:14237-71-9 |
| Literature: Journal of the Indian Chemical Society, , vol. 73, # 2-3 p. 141 - 143 |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933399090 |
|---|---|
| Summary | 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
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Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
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Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
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Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
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Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
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Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
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Name: qHTS of TDP-43 Inhibitors: NCGC Sytravon Library Screen
Source: NCGC
External Id: tdp43-p2-repeat
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-Chloro-3-cyano-4,6-dimethylpyridine |
| 2-Chloro-4,6-dimethylnicotinonitrile |
| MFCD00051676 |
| 2-Chloro-4,6-dimethyl-3-pyridinecarbonitrile |
| 2-Chloro-4,6-dimethylpyridine-3-carbonitrile |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the English name of 2-Chloro-4,6-dimethylpyridine-3-carbonitrile? |
| A: The English name of 2-Chloro-4,6-dimethylpyridine-3-carbonitrile is 2-Chloro-4,6-dimethylpyridine-3-carbonitrile. |
| Q: What is the SMILES notation of 2-Chloro-4,6-dimethylpyridine-3-carbonitrile? |
| A: SMILES notation of 2-Chloro-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(Cl)n1. |
| Q: What is the melting point of 2-Chloro-4,6-dimethylpyridine-3-carbonitrile? |
| A: Melting point of 2-Chloro-4,6-dimethylpyridine-3-carbonitrile is 98-99°C. |
| Q: What is the molecular formula of 2-Chloro-4,6-dimethylpyridine-3-carbonitrile? |
| A: Molecular formula of 2-Chloro-4,6-dimethylpyridine-3-carbonitrile is C8H7ClN2. |
| Q: What is the boiling point of 2-Chloro-4,6-dimethylpyridine-3-carbonitrile? |
| A: Boiling point of 2-Chloro-4,6-dimethylpyridine-3-carbonitrile is 305.3±37.0 °C at 760 mmHg. |
| Q: What is the CAS number of 2-Chloro-4,6-dimethylpyridine-3-carbonitrile? |
| A: CAS number of 2-Chloro-4,6-dimethylpyridine-3-carbonitrile is 14237-71-9. |
| Q: What is the safety information for 2-Chloro-4,6-dimethylpyridine-3-carbonitrile? |
| A: Safety information for 2-Chloro-4,6-dimethylpyridine-3-carbonitrile: S26-S36/37/39-S45. |
| Q: What is the molecular weight of 2-Chloro-4,6-dimethylpyridine-3-carbonitrile? |
| A: Molecular weight of 2-Chloro-4,6-dimethylpyridine-3-carbonitrile is 166.608. |
| Q: What is the InChIKey of 2-Chloro-4,6-dimethylpyridine-3-carbonitrile? |
| A: InChIKey of 2-Chloro-4,6-dimethylpyridine-3-carbonitrile is RETJKTAVEQPNMH-UHFFFAOYSA-N. |
| Q: What is the LogP of 2-Chloro-4,6-dimethylpyridine-3-carbonitrile? |
| A: LogP of 2-Chloro-4,6-dimethylpyridine-3-carbonitrile is 2.06. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |