5-Methoxy-2-nitrobenzaldehyde
5-Methoxy-2-nitrobenzaldehyde structure
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Common Name | 5-Methoxy-2-nitrobenzaldehyde | ||
|---|---|---|---|---|
| CAS Number | 20357-24-8 | Molecular Weight | 181.145 | |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 354.7±27.0 °C at 760 mmHg | |
| Molecular Formula | C8H7NO4 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 184.2±25.7 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 5-methoxy-2-nitrobenzaldehyde |
|---|---|
| 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 | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 354.7±27.0 °C at 760 mmHg |
| Molecular Formula | C8H7NO4 |
| Molecular Weight | 181.145 |
| Flash Point | 184.2±25.7 °C |
| Exact Mass | 181.037506 |
| PSA | 72.12000 |
| LogP | 1.91 |
| Vapour Pressure | 0.0±0.8 mmHg at 25°C |
| Index of Refraction | 1.590 |
| InChIKey | BNTDDWPHSMILHQ-UHFFFAOYSA-N |
| SMILES | COc1ccc([N+](=O)[O-])c(C=O)c1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
|---|---|
| HS Code | 2913000090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 9 | |
|---|---|
| DownStream 9 | |
CAS#:42454-06-8
CAS#:74-88-4
CAS#:879-55-0
CAS#:77-78-1![2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-ylidene]propanedinitrile Structure](https://image.chemsrc.com/caspic/139/96042-30-7.png)
CAS#:96042-30-7
CAS#:1882-69-5
CAS#:591-31-1
CAS#:63932-00-3
CAS#:100-83-4
CAS#:39755-95-8
CAS#:38469-84-0
CAS#:26831-52-7
CAS#:850424-11-2
CAS#:86210-92-6
CAS#:59292-36-3
CAS#:54197-64-7
CAS#:7507-86-0This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2913000090 |
|---|---|
| Summary | HS: 2913000090 halogenated, sulphonated, nitrated or nitrosated derivatives of products of heading 2912 Educational tariff:17.0% Tax rebate rate:9.0% Regulatory conditions:none Most favored nation tariff:5.5% General tariff:30.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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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.
| 2-nitro-5-methoxybenzaldehyde |
| 6-nitro-3-methoxybenzaldehyde |
| 2-Formyl-4-methoxynitrobenzene |
| MFCD00456498 |
| Benzaldehyde,5-methoxy-2-nitro |
| 3-methoxy-6-nitrobenzaldehyde |
| 5-Methoxy-2-nitrobenzaldehyde |
| 5-methoxy-2-nitro-benzaldehyde |
| 3-Formyl-4-nitroanisole |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of 5-methoxy-2-nitrobenzaldehyde? |
| A: InChIKey of 5-methoxy-2-nitrobenzaldehyde is BNTDDWPHSMILHQ-UHFFFAOYSA-N. |
| Q: What is the polar surface area (PSA) of 5-methoxy-2-nitrobenzaldehyde? |
| A: Polar surface area (PSA) of 5-methoxy-2-nitrobenzaldehyde is 72.12000. |
| Q: What English synonyms does 5-methoxy-2-nitrobenzaldehyde have? |
| A: English synonyms of 5-methoxy-2-nitrobenzaldehyde: 2-nitro-5-methoxybenzaldehyde, 6-nitro-3-methoxybenzaldehyde, 2-Formyl-4-methoxynitrobenzene, MFCD00456498, Benzaldehyde,5-methoxy-2-nitro, 3-methoxy-6-nitrobenzaldehyde, 5-Methoxy-2-nitrobenzaldehyde, 5-methoxy-2-nitro-benzaldehyde, 3-Formyl-4-nitroanisole. |
| Q: What is the SMILES notation of 5-methoxy-2-nitrobenzaldehyde? |
| A: SMILES notation of 5-methoxy-2-nitrobenzaldehyde is COc1ccc([N+](=O)[O-])c(C=O)c1. |
| Q: What is the CAS number of 5-methoxy-2-nitrobenzaldehyde? |
| A: CAS number of 5-methoxy-2-nitrobenzaldehyde is 20357-24-8. |
| Q: What is the molecular formula of 5-methoxy-2-nitrobenzaldehyde? |
| A: Molecular formula of 5-methoxy-2-nitrobenzaldehyde is C8H7NO4. |
| Q: What is the English name of 5-methoxy-2-nitrobenzaldehyde? |
| A: The English name of 5-methoxy-2-nitrobenzaldehyde is 5-methoxy-2-nitrobenzaldehyde. |
| Q: What is the LogP of 5-methoxy-2-nitrobenzaldehyde? |
| A: LogP of 5-methoxy-2-nitrobenzaldehyde is 1.91. |
| Q: What are the upstream materials of 5-methoxy-2-nitrobenzaldehyde? |
| A: Related upstream materials(CAS) of 5-methoxy-2-nitrobenzaldehyde: 42454-06-8;74-88-4;879-55-0;77-78-1;96042-30-7;1882-69-5;591-31-1;63932-00-3;100-83-4. |
| Q: What are the downstream products of 5-methoxy-2-nitrobenzaldehyde? |
| A: Related downstream products(CAS) of 5-methoxy-2-nitrobenzaldehyde: 39755-95-8;38469-84-0;26831-52-7;850424-11-2;1882-69-5;86210-92-6;59292-36-3;54197-64-7;7507-86-0. |
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. |