6-Nitroveratraldehyde structure
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Common Name | 6-Nitroveratraldehyde | ||
|---|---|---|---|---|
| CAS Number | 20357-25-9 | Molecular Weight | 211.17100 | |
| Density | 1.312 g/cm3 | Boiling Point | 390.8ºC at 760 mmHg | |
| Molecular Formula | C9H9NO5 | Melting Point | 133.2-134.5 °C | |
| MSDS | USA | Flash Point | 194.3ºC | |
Use of 6-NitroveratraldehydeDMNB (6-Nitroveratraldehyde), a precursor, can be used for the synthesis no-carrier-added 6-[18F]fluoro-L-DOPA (6-FDOPA). No-Carrier-Added (NCA) 6-[18F]fluoro-L-dopa (6-FDOPA) is being produced routinely for PET investigations of dopaminergic systems[1]. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4,5-dimethoxy-2-nitrobenzaldehyde |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | DMNB (6-Nitroveratraldehyde), a precursor, can be used for the synthesis no-carrier-added 6-[18F]fluoro-L-DOPA (6-FDOPA). No-Carrier-Added (NCA) 6-[18F]fluoro-L-dopa (6-FDOPA) is being produced routinely for PET investigations of dopaminergic systems[1]. |
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| Related Catalog | |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.312 g/cm3 |
|---|---|
| Boiling Point | 390.8ºC at 760 mmHg |
| Melting Point | 133.2-134.5 °C |
| Molecular Formula | C9H9NO5 |
| Molecular Weight | 211.17100 |
| Flash Point | 194.3ºC |
| Exact Mass | 211.04800 |
| PSA | 81.35000 |
| LogP | 1.94770 |
| Vapour Pressure | 2.59E-06mmHg at 25°C |
| Index of Refraction | 1.571 |
| InChIKey | YWSPWKXREVSQCA-UHFFFAOYSA-N |
| SMILES | COc1cc(C=O)c([N+](=O)[O-])cc1OC |
| Storage condition | 2-8°C |
| Water Solubility | DMSO: 22 mg/mL |
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.
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| Hazard Codes | Xi: Irritant; |
| Safety Phrases | S24/25 |
| RIDADR | UN 2811 6.1/PG 3 |
| WGK Germany | 3 |
| RTECS | GY8410000 |
| HS Code | 2913000090 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 7 | |
|---|---|
| DownStream 10 | |
This 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 lists relevant public references with title, journal and publication metadata for this compound.
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An improved synthesis of no-carrier-added (NCA) 6-[18 F] Fluoro-l-DOPA and its remote routine production for PET investigations of dopaminergic systems. Reddy GN, et al.
Appl. Radiat. Isot. 44(4) , 645-49, (1993)
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o-Nitroaryl-bis (5-methylfur-2-yl) methanes as Versatile Synthons for the Synthesis of Nitrogen-Containing Heterocycles. Butin AV, et al.
Molecules 2(4) , 62-8, (1997)
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This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Drug screen in LFS_MB_P medulloblastoma cells to determine synergistic drug combinati...
Source: 25008
Target: N/A
External Id: DKFZ_drug_screen_chromothripsis_LFS_MB_P
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Name: Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident pro...
Source: NCGC
Target: N/A
External Id: SERCaMPGLuc-p1-antagonist
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Name: Drug screen in ICB984 medulloblastoma cells to determine synergistic drug combination...
Source: 25008
Target: N/A
External Id: DKFZ_drug_screen_chromothripsis_ICB984_MB
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Name: Substrate activity at recombinant Haemophilus influenzae Chloramphenicol nitroreducta...
Source: ChEMBL
Target: N/A
External Id: CHEMBL4320927
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Name: Drug screen in HDN33 neuroblastoma cells to determine synergistic drug combinations t...
Source: 25008
Target: N/A
External Id: DKFZ_drug_screen_chromothripsis_HDN33
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Name: Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: HCMV UL50
External Id: HMS1262
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Name: Drug screen in HD-MB03 medulloblastoma cells to determine synergistic drug combinatio...
Source: 25008
Target: N/A
External Id: DKFZ_drug_screen_chromothripsis_HD-MB03
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Name: Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VER...
Source: ChEMBL
Target: Severe acute respiratory syndrome coronavirus 2
External Id: CHEMBL4513082
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Name: Drug screen in CRL2098 osteosarcoma cells to determine synergistic drug combinations ...
Source: 25008
Target: N/A
External Id: DKFZ_drug_screen_chromothripsis_CRL2098
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Name: Rescue cell viability in cybrid cells with a genetic mutation in complex 1 of the mit...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: N/A
External Id: HMS1315
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4,5-dimethoxy-2-nitro-benzaldehyde |
| Benzaldehyde,4,5-dimethoxy-2-nitro |
| 3,4-Dimethoxy-6-nitrobenzaldehyde |
| 6-Nitroveratraldehyde |
| 2-nitro-4,5-dimethoxybenzaldehyde |
| DNA-Dependent Protein Kinase Inhibitor |
| DMNB |
| EINECS 243-762-1 |
| MFCD00007134 |
| DNA-PK Inhibitor |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the melting point of 4,5-dimethoxy-2-nitrobenzaldehyde? |
| A: Melting point of 4,5-dimethoxy-2-nitrobenzaldehyde is 133.2-134.5 °C. |
| Q: What is the boiling point of 4,5-dimethoxy-2-nitrobenzaldehyde? |
| A: Boiling point of 4,5-dimethoxy-2-nitrobenzaldehyde is 390.8ºC at 760 mmHg. |
| Q: What are the downstream products of 4,5-dimethoxy-2-nitrobenzaldehyde? |
| A: Related downstream products(CAS) of 4,5-dimethoxy-2-nitrobenzaldehyde: 107044-98-4;53413-67-5;22608-87-3;22608-86-2;21203-88-3;18505-71-0;29568-78-3;28059-24-7;1899-48-5;20567-38-8. |
| Q: What is the SMILES notation of 4,5-dimethoxy-2-nitrobenzaldehyde? |
| A: SMILES notation of 4,5-dimethoxy-2-nitrobenzaldehyde is COc1cc(C=O)c([N+](=O)[O-])cc1OC. |
| Q: What English synonyms does 4,5-dimethoxy-2-nitrobenzaldehyde have? |
| A: English synonyms of 4,5-dimethoxy-2-nitrobenzaldehyde: 4,5-dimethoxy-2-nitro-benzaldehyde, Benzaldehyde,4,5-dimethoxy-2-nitro, 3,4-Dimethoxy-6-nitrobenzaldehyde, 6-Nitroveratraldehyde, 2-nitro-4,5-dimethoxybenzaldehyde, DNA-Dependent Protein Kinase Inhibitor, DMNB, EINECS 243-762-1, MFCD00007134, DNA-PK Inhibitor. |
| Q: What are the storage conditions for 4,5-dimethoxy-2-nitrobenzaldehyde? |
| A: Storage conditions for 4,5-dimethoxy-2-nitrobenzaldehyde: 2-8°C. |
| Q: How is the water solubility of 4,5-dimethoxy-2-nitrobenzaldehyde? |
| A: Water solubility of 4,5-dimethoxy-2-nitrobenzaldehyde: DMSO: 22 mg/mL. |
| Q: What is the polar surface area (PSA) of 4,5-dimethoxy-2-nitrobenzaldehyde? |
| A: Polar surface area (PSA) of 4,5-dimethoxy-2-nitrobenzaldehyde is 81.35000. |
| Q: What are the upstream materials of 4,5-dimethoxy-2-nitrobenzaldehyde? |
| A: Related upstream materials(CAS) of 4,5-dimethoxy-2-nitrobenzaldehyde: 120-14-9;1016-58-6;2454-72-0;77376-02-4;121-33-5;2426-87-1;74-88-4. |
| Q: What is the safety information for 4,5-dimethoxy-2-nitrobenzaldehyde? |
| A: Safety information for 4,5-dimethoxy-2-nitrobenzaldehyde: S24/25. |
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. |
| Henan Tianfu Chemical Co., Ltd. |