Methyl 3-nitro-1-naphthoate
Methyl 3-nitro-1-naphthoate structure
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Common Name | Methyl 3-nitro-1-naphthoate | ||
|---|---|---|---|---|
| CAS Number | 13772-63-9 | Molecular Weight | 231.20400 | |
| Density | 1.334g/cm3 | Boiling Point | 391.9ºC at 760 mmHg | |
| Molecular Formula | C12H9NO4 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 184.5ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | methyl 3-nitronaphthalene-1-carboxylate |
|---|---|
| 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 | 1.334g/cm3 |
|---|---|
| Boiling Point | 391.9ºC at 760 mmHg |
| Molecular Formula | C12H9NO4 |
| Molecular Weight | 231.20400 |
| Flash Point | 184.5ºC |
| Exact Mass | 231.05300 |
| PSA | 72.12000 |
| LogP | 3.05780 |
| Vapour Pressure | 2.38E-06mmHg at 25°C |
| Index of Refraction | 1.639 |
| InChIKey | QFUDSCNJHFVWIB-UHFFFAOYSA-N |
| SMILES | COC(=O)c1cc([N+](=O)[O-])cc2ccccc12 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2916399090 |
|---|
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~%
Methyl 3-nitro-... CAS#:13772-63-9 |
| Literature: Berger, Richard; Edmondson, Scott; Alexa, Hansen; Zhu, Cheng Patent: US2009/118300 A1, 2009 ; Location in patent: Page/Page column 34-35 ; |
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~%
Methyl 3-nitro-... CAS#:13772-63-9 |
| Literature: MERCK and CO., INC. Patent: WO2007/120688 A2, 2007 ; Location in patent: Page/Page column 76-77 ; WO 2007/120688 A2 |
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~87%
Methyl 3-nitro-... CAS#:13772-63-9 |
| Literature: Kice, John L.; Lotey, Harvinder Journal of Organic Chemistry, 1989 , vol. 54, # 15 p. 3596 - 3602 |
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~%
Methyl 3-nitro-... CAS#:13772-63-9 |
| Literature: Kice, John L.; Lotey, Harvinder Journal of Organic Chemistry, 1989 , vol. 54, # 15 p. 3596 - 3602 |
![5-Nitro-1H,3H-benzo[de]isochromene-1,3-dione structure](https://image.chemsrc.com/caspic/204/3027-38-1.png)
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 5 | |
|---|---|
| DownStream 2 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2916399090 |
|---|---|
| Summary | 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
|
Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
|
|
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-Nitro-naphthoesaeure-1-methylester |
| 3-Nitro-1-naphthoesaeure-methylester |
| methyl 3-nitro-1-naphthoate |
| methyl 3-nitro-5,6,7,8-tetrahydro-1-naphthoate |
| 3-nitro-1-naphthoate |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of methyl 3-nitronaphthalene-1-carboxylate? |
| A: Polar surface area (PSA) of methyl 3-nitronaphthalene-1-carboxylate is 72.12000. |
| Q: What is the LogP of methyl 3-nitronaphthalene-1-carboxylate? |
| A: LogP of methyl 3-nitronaphthalene-1-carboxylate is 3.05780. |
| Q: What is the CAS number of methyl 3-nitronaphthalene-1-carboxylate? |
| A: CAS number of methyl 3-nitronaphthalene-1-carboxylate is 13772-63-9. |
| Q: What is the English name of methyl 3-nitronaphthalene-1-carboxylate? |
| A: The English name of methyl 3-nitronaphthalene-1-carboxylate is methyl 3-nitronaphthalene-1-carboxylate. |
| Q: What are the upstream materials of methyl 3-nitronaphthalene-1-carboxylate? |
| A: Related upstream materials(CAS) of methyl 3-nitronaphthalene-1-carboxylate: 67-56-1;4507-84-0;54978-07-3;186581-53-3;3027-38-1. |
| Q: What is the molecular weight of methyl 3-nitronaphthalene-1-carboxylate? |
| A: Molecular weight of methyl 3-nitronaphthalene-1-carboxylate is 231.20400. |
| Q: What is the SMILES notation of methyl 3-nitronaphthalene-1-carboxylate? |
| A: SMILES notation of methyl 3-nitronaphthalene-1-carboxylate is COC(=O)c1cc([N+](=O)[O-])cc2ccccc12. |
| Q: What are the downstream products of methyl 3-nitronaphthalene-1-carboxylate? |
| A: Related downstream products(CAS) of methyl 3-nitronaphthalene-1-carboxylate: 4507-84-0;54978-07-3. |
| Q: What is the boiling point of methyl 3-nitronaphthalene-1-carboxylate? |
| A: Boiling point of methyl 3-nitronaphthalene-1-carboxylate is 391.9ºC at 760 mmHg. |
| Q: What is the InChIKey of methyl 3-nitronaphthalene-1-carboxylate? |
| A: InChIKey of methyl 3-nitronaphthalene-1-carboxylate is QFUDSCNJHFVWIB-UHFFFAOYSA-N. |
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. |