methyl 2-chloro-5-cyanobenzoate
methyl 2-chloro-5-cyanobenzoate structure
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Common Name | methyl 2-chloro-5-cyanobenzoate | ||
|---|---|---|---|---|
| CAS Number | 914106-36-8 | Molecular Weight | 195.60200 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C9H6ClNO2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | methyl 2-chloro-5-cyanobenzoate |
|---|---|
| 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.
| Molecular Formula | C9H6ClNO2 |
|---|---|
| Molecular Weight | 195.60200 |
| Exact Mass | 195.00900 |
| PSA | 50.09000 |
| LogP | 1.99828 |
| InChIKey | RGLQGCVEXOWXEK-UHFFFAOYSA-N |
| SMILES | COC(=O)c1cc(C#N)ccc1Cl |
| Storage condition | 2-8°C |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2926909090 |
|---|
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~91%
methyl 2-chloro... CAS#:914106-36-8 |
| Literature: THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL Patent: EP1719767 A1, 2006 ; Location in patent: Page/Page column 24-28; 41 ; |
|
~%
methyl 2-chloro... CAS#:914106-36-8 |
| Literature: Patrick, Donald A.; Bakunov, Stanislav A.; Bakunova, Svetlana M.; Kumar, E.V.K. Suresh; Lombardy, Richard J.; Jones, Susan Kilgore; Bridges, Arlene S.; Zhirnov, Oksana; Hall, James Edwin; Wenzler, Tanja; Brun, Reto; Tidwell, Richard R. Journal of Medicinal Chemistry, 2007 , vol. 50, # 10 p. 2468 - 2485 |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2926909090 |
|---|---|
| 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% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Benzoic acid,2-chloro-5-cyano-,methyl ester |
| 2-chloro-5-cyanobenzoic acid methyl ester |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular weight of methyl 2-chloro-5-cyanobenzoate? |
| A: Molecular weight of methyl 2-chloro-5-cyanobenzoate is 195.60200. |
| Q: What is the polar surface area (PSA) of methyl 2-chloro-5-cyanobenzoate? |
| A: Polar surface area (PSA) of methyl 2-chloro-5-cyanobenzoate is 50.09000. |
| Q: What is the English name of methyl 2-chloro-5-cyanobenzoate? |
| A: The English name of methyl 2-chloro-5-cyanobenzoate is methyl 2-chloro-5-cyanobenzoate. |
| Q: What is the LogP of methyl 2-chloro-5-cyanobenzoate? |
| A: LogP of methyl 2-chloro-5-cyanobenzoate is 1.99828. |
| Q: What is the SMILES notation of methyl 2-chloro-5-cyanobenzoate? |
| A: SMILES notation of methyl 2-chloro-5-cyanobenzoate is COC(=O)c1cc(C#N)ccc1Cl. |
| Q: What is the CAS number of methyl 2-chloro-5-cyanobenzoate? |
| A: CAS number of methyl 2-chloro-5-cyanobenzoate is 914106-36-8. |
| Q: What is the molecular formula of methyl 2-chloro-5-cyanobenzoate? |
| A: Molecular formula of methyl 2-chloro-5-cyanobenzoate is C9H6ClNO2. |
| Q: What is the InChIKey of methyl 2-chloro-5-cyanobenzoate? |
| A: InChIKey of methyl 2-chloro-5-cyanobenzoate is RGLQGCVEXOWXEK-UHFFFAOYSA-N. |
| Q: What English synonyms does methyl 2-chloro-5-cyanobenzoate have? |
| A: English synonyms of methyl 2-chloro-5-cyanobenzoate: Benzoic acid,2-chloro-5-cyano-,methyl ester, 2-chloro-5-cyanobenzoic acid methyl ester. |
| Q: What are the storage conditions for methyl 2-chloro-5-cyanobenzoate? |
| A: Storage conditions for methyl 2-chloro-5-cyanobenzoate: 2-8°C. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |