4-Nitro-m-xylene
4-Nitro-m-xylene structure
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Common Name | 4-Nitro-m-xylene | ||
|---|---|---|---|---|
| CAS Number | 89-87-2 | Molecular Weight | 151.163 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 244.1±9.0 °C at 760 mmHg | |
| Molecular Formula | C8H9NO2 | Melting Point | 7-9 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 107.2±0.0 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4-Nitro-1,3-dimethylbenzene |
|---|---|
| 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 | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 244.1±9.0 °C at 760 mmHg |
| Melting Point | 7-9 °C(lit.) |
| Molecular Formula | C8H9NO2 |
| Molecular Weight | 151.163 |
| Flash Point | 107.2±0.0 °C |
| Exact Mass | 151.063324 |
| PSA | 45.82000 |
| LogP | 2.87 |
| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
| Index of Refraction | 1.547 |
| InChIKey | BBUPBICWUURTNP-UHFFFAOYSA-N |
| SMILES | Cc1ccc([N+](=O)[O-])c(C)c1 |
| Stability | Stable. Incompatible with strong bases, strong oxidizing agents. |
| Water Solubility | 133 mg/L (20 ºC) |
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 |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H302 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | Xn:Harmful; |
| Risk Phrases | R20/21/22 |
| Safety Phrases | S36/37 |
| RIDADR | UN 1665 6.1/PG 2 |
| WGK Germany | 2 |
| Packaging Group | II |
| Hazard Class | 6.1 |
| HS Code | 29042000 |
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 10 | |
CAS#:108-38-3
CAS#:95-68-1
CAS#:81-20-9
CAS#:95-93-2
CAS#:446-34-4
CAS#:52062-24-5
CAS#:112825-86-2
CAS#:2124-47-2
CAS#:68373-78-4
CAS#:3113-71-1
CAS#:3113-72-2
CAS#:4315-09-7
CAS#:51163-29-2
CAS#:18515-14-5
CAS#:22767-82-4
CAS#:1872-40-8
CAS#:29418-25-5
CAS#:99766-50-4This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2904209090 |
|---|---|
| Summary | 2904209090 derivatives containing only nitro or only nitroso groups。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN 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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Determination of trace level genotoxic impurities in small molecule drug substances using conventional headspace gas chromatography with contemporary ionic liquid diluents and electron capture detection.
J. Chromatogr. A. 1361 , 217-28, (2014) Ionic liquids (ILs) were used as a new class of diluents for the analysis of two classes of genotoxic impurities (GTIs), namely, alkyl/aryl halides and nitro-aromatics, in small molecule drug substanc... |
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Rhodium-catalyzed synthesis of 1-alkynylphosphine oxides from 1-alkynes and tetraphenylbiphosphine. Arisawa M, et al.
Tetrahedron Lett. 47(29) , 5211-5213, (2006)
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This table contains target information, in‑vitro & in‑vivo assay data for this compound.
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| EINECS 201-947-4 |
| 4-Nitro-m-xylene |
| 2,4-Dimethyl-1-nitrobenzene |
| 4-Nitro-1,3-dimethylbenzene |
| MFCD00007169 |
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 4-Nitro-1,3-dimethylbenzene? |
| A: Molecular weight of 4-Nitro-1,3-dimethylbenzene is 151.163. |
| Q: What is the LogP of 4-Nitro-1,3-dimethylbenzene? |
| A: LogP of 4-Nitro-1,3-dimethylbenzene is 2.87. |
| Q: What is the safety information for 4-Nitro-1,3-dimethylbenzene? |
| A: Safety information for 4-Nitro-1,3-dimethylbenzene: S36/37. |
| Q: What is the boiling point of 4-Nitro-1,3-dimethylbenzene? |
| A: Boiling point of 4-Nitro-1,3-dimethylbenzene is 244.1±9.0 °C at 760 mmHg. |
| Q: What is the molecular formula of 4-Nitro-1,3-dimethylbenzene? |
| A: Molecular formula of 4-Nitro-1,3-dimethylbenzene is C8H9NO2. |
| Q: What is the melting point of 4-Nitro-1,3-dimethylbenzene? |
| A: Melting point of 4-Nitro-1,3-dimethylbenzene is 7-9 °C(lit.). |
| Q: What is the polar surface area (PSA) of 4-Nitro-1,3-dimethylbenzene? |
| A: Polar surface area (PSA) of 4-Nitro-1,3-dimethylbenzene is 45.82000. |
| Q: What are the upstream materials of 4-Nitro-1,3-dimethylbenzene? |
| A: Related upstream materials(CAS) of 4-Nitro-1,3-dimethylbenzene: 108-38-3;95-68-1;81-20-9;95-93-2;446-34-4;52062-24-5;112825-86-2;2124-47-2;68373-78-4. |
| Q: How is the water solubility of 4-Nitro-1,3-dimethylbenzene? |
| A: Water solubility of 4-Nitro-1,3-dimethylbenzene: 133 mg/L (20 ºC). |
| Q: What is the English name of 4-Nitro-1,3-dimethylbenzene? |
| A: The English name of 4-Nitro-1,3-dimethylbenzene is 4-Nitro-1,3-dimethylbenzene. |
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. |