3,5-Dinitro-4-methylbenzoic Acid
3,5-Dinitro-4-methylbenzoic Acid structure
|
Common Name | 3,5-Dinitro-4-methylbenzoic Acid | ||
|---|---|---|---|---|
| CAS Number | 16533-71-4 | Molecular Weight | 226.143 | |
| Density | 1.6±0.1 g/cm3 | Boiling Point | 396.3±42.0 °C at 760 mmHg | |
| Molecular Formula | C8H6N2O6 | Melting Point | 155-158 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 176.1±16.3 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4-Methyl-3,5-dinitrobenzoic acid |
|---|---|
| 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 | 1.6±0.1 g/cm3 |
|---|---|
| Boiling Point | 396.3±42.0 °C at 760 mmHg |
| Melting Point | 155-158 °C(lit.) |
| Molecular Formula | C8H6N2O6 |
| Molecular Weight | 226.143 |
| Flash Point | 176.1±16.3 °C |
| Exact Mass | 226.022583 |
| PSA | 128.94000 |
| LogP | 2.15 |
| Vapour Pressure | 0.0±1.0 mmHg at 25°C |
| Index of Refraction | 1.639 |
| InChIKey | LZWWZQXBKVZKIP-UHFFFAOYSA-N |
| SMILES | Cc1c([N+](=O)[O-])cc(C(=O)O)cc1[N+](=O)[O-] |
| Storage condition | Flammables area |
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 | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xi:Irritant; |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S36 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 2916399090 |
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 10 | |
|---|---|
| DownStream 10 | |
CAS#:99-94-5
CAS#:96-98-0
CAS#:859448-75-2
CAS#:122-00-9
CAS#:622-96-8
CAS#:858006-14-1
CAS#:19013-11-7
CAS#:854633-32-2
CAS#:854624-41-2
CAS#:857797-43-4
CAS#:1057652-84-2
CAS#:49592-71-4
CAS#:350800-81-6
CAS#:948-30-1
CAS#:95192-64-6
CAS#:34545-20-5
CAS#:19406-51-0
CAS#:125229-13-2
CAS#:69824-99-3
CAS#:72922-60-2This 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 lists relevant public references with title, journal and publication metadata for this compound.
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Pd-catalyzed carbonylative lactamization: a novel synthetic approach to FR900482.
Org. Lett. 6 , 1745, (2004) An asymmetric synthesis of the benzazocine core of FR900482 has been achieved in 15 steps from 3,5-dinitro-p-toluic acid. Key features of the synthesis include an enantioselective N-methylephedrine-me... |
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Identification of highly polar nitroaromatic compounds in leachate and ground water samples from a TNT-contaminated waste site by LC-MS, LC-NMR, and off-line NMR and MS investigations.
Anal. Bioanal. Chem 389(6) , 1979-88, (2007) Leachate and ground water samples from a trinitrotoluene-contaminated waste disposal site near a former ammunitions plant in Stadtallendorf, Germany, were analyzed by liquid chromatography (LC)-mass s... |
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
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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
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3,5-Dinitro-4-methyl benzoic acid |
| 4-Methyl-3,5-dinitrobenzoic acid |
| 3,5-Dinitro-4-toluic acid |
| 3,5-Dinitro-p-toluic Acid |
| 3,5-Dinitro-4-methylbenzoic Acid |
| EINECS 240-603-8 |
| MFCD00007175 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the storage conditions for 4-Methyl-3,5-dinitrobenzoic acid? |
| A: Storage conditions for 4-Methyl-3,5-dinitrobenzoic acid: Flammables area. |
| Q: What is the English name of 4-Methyl-3,5-dinitrobenzoic acid? |
| A: The English name of 4-Methyl-3,5-dinitrobenzoic acid is 4-Methyl-3,5-dinitrobenzoic acid. |
| Q: What is the molecular weight of 4-Methyl-3,5-dinitrobenzoic acid? |
| A: Molecular weight of 4-Methyl-3,5-dinitrobenzoic acid is 226.143. |
| Q: What is the CAS number of 4-Methyl-3,5-dinitrobenzoic acid? |
| A: CAS number of 4-Methyl-3,5-dinitrobenzoic acid is 16533-71-4. |
| Q: What is the InChIKey of 4-Methyl-3,5-dinitrobenzoic acid? |
| A: InChIKey of 4-Methyl-3,5-dinitrobenzoic acid is LZWWZQXBKVZKIP-UHFFFAOYSA-N. |
| Q: What is the melting point of 4-Methyl-3,5-dinitrobenzoic acid? |
| A: Melting point of 4-Methyl-3,5-dinitrobenzoic acid is 155-158 °C(lit.). |
| Q: What is the molecular formula of 4-Methyl-3,5-dinitrobenzoic acid? |
| A: Molecular formula of 4-Methyl-3,5-dinitrobenzoic acid is C8H6N2O6. |
| Q: What is the polar surface area (PSA) of 4-Methyl-3,5-dinitrobenzoic acid? |
| A: Polar surface area (PSA) of 4-Methyl-3,5-dinitrobenzoic acid is 128.94000. |
| Q: What are the downstream products of 4-Methyl-3,5-dinitrobenzoic acid? |
| A: Related downstream products(CAS) of 4-Methyl-3,5-dinitrobenzoic acid: 1057652-84-2;49592-71-4;350800-81-6;948-30-1;95192-64-6;34545-20-5;19406-51-0;125229-13-2;69824-99-3;72922-60-2. |
| Q: What is the SMILES notation of 4-Methyl-3,5-dinitrobenzoic acid? |
| A: SMILES notation of 4-Methyl-3,5-dinitrobenzoic acid is Cc1c([N+](=O)[O-])cc(C(=O)O)cc1[N+](=O)[O-]. |
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. |