4-Methyl-3-nitrobenzoic acid
4-Methyl-3-nitrobenzoic acid structure
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Common Name | 4-Methyl-3-nitrobenzoic acid | ||
|---|---|---|---|---|
| CAS Number | 96-98-0 | Molecular Weight | 181.15 | |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 351.4±30.0 °C at 760 mmHg | |
| Molecular Formula | C8H7NO4 | Melting Point | 187-190 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 159.0±13.0 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
Use of 4-Methyl-3-nitrobenzoic acid4-Methyl-3-nitrobenzoic acid is a biochemical reagent that can be used as a biological material or organic compound for life science related research. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4-Methyl-3-nitrobenzoic acid |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | 4-Methyl-3-nitrobenzoic acid is a biochemical reagent that can be used as a biological material or organic compound for life science related research. |
|---|---|
| Related Catalog |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.4±0.1 g/cm3 |
|---|---|
| Boiling Point | 351.4±30.0 °C at 760 mmHg |
| Melting Point | 187-190 °C(lit.) |
| Molecular Formula | C8H7NO4 |
| Molecular Weight | 181.15 |
| Flash Point | 159.0±13.0 °C |
| Exact Mass | 181.037506 |
| PSA | 83.12000 |
| LogP | 2.28 |
| Vapour Pressure | 0.0±0.8 mmHg at 25°C |
| Index of Refraction | 1.601 |
| InChIKey | BBEWSMNRCUXQRF-UHFFFAOYSA-N |
| SMILES | Cc1ccc(C(=O)O)cc1[N+](=O)[O-] |
| Water Solubility | <0.1 g/100 mL at 22 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 |
| Hazard Codes | Xn:Harmful |
| Risk Phrases | R20/21/22;R36/37/38 |
| Safety Phrases | S36/37/39-S26-S22 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 1 |
| 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#:104-85-8
CAS#:939-79-7
CAS#:99-87-6
CAS#:444667-11-2
CAS#:89-58-7
CAS#:79822-14-3![Benzene,1-methyl-4-[(4-methylphenyl)methyl] Structure](https://image.chemsrc.com/caspic/194/4957-14-6.png)
CAS#:4957-14-6
CAS#:106-49-0
CAS#:76947-17-6
CAS#:50820-65-0
CAS#:55715-03-2
CAS#:49592-71-4
CAS#:31680-07-6
CAS#:350-28-7
CAS#:147962-81-0
CAS#:41191-92-8
CAS#:223519-08-2
CAS#:223519-11-7
CAS#:303133-89-3This 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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Three novel 1D lanthanide-carboxylate polymeric complexes: syntheses, crystal structures and magnetic analyses.
Dalton Trans. 42(23) , 8504-11, (2013) Three novel one-dimensional (1D) lanthanide coordination complexes involving the 4-methyl-3-nitrobenzoic acid (HL) ligand, with the general formulae [Gd(L)3(H2O)(CH3OH)] (1), [Gd(L)3(H2O)2]·(4,4'-bpy)... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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|
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
|
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Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273
|
|
Name: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_Inhibitor_SinglePoint_HTS_Activity
|
|
Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
|
|
Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
|
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Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600
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Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958
|
|
Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: Summary
Source: 824
External Id: P53MS482
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-Nitro-p-toluylsaeure |
| EINECS 202-549-3 |
| p-Toluic acid,3-nitro |
| 3-Nitro-p-toluic acid |
| 4-Methyl-3-nitrobenzoic acid |
| Benzoic acid,4-methyl-3-nitro |
| 3-nitro-4-methylbenzoic acid |
| 4-Methyl-3-nitro-benzoesaeure |
| 4-methyl-3-nitrobenzoicacid |
| m-Nitro-p-toluic acid |
| MFCD00007174 |
| 3-Nitro-para-toluic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: How is the water solubility of 4-Methyl-3-nitrobenzoic acid? |
| A: Water solubility of 4-Methyl-3-nitrobenzoic acid: <0.1 g/100 mL at 22 ºC. |
| Q: What is the LogP of 4-Methyl-3-nitrobenzoic acid? |
| A: LogP of 4-Methyl-3-nitrobenzoic acid is 2.28. |
| Q: What is the English name of 4-Methyl-3-nitrobenzoic acid? |
| A: The English name of 4-Methyl-3-nitrobenzoic acid is 4-Methyl-3-nitrobenzoic acid. |
| Q: What is the SMILES notation of 4-Methyl-3-nitrobenzoic acid? |
| A: SMILES notation of 4-Methyl-3-nitrobenzoic acid is Cc1ccc(C(=O)O)cc1[N+](=O)[O-]. |
| Q: What are the upstream materials of 4-Methyl-3-nitrobenzoic acid? |
| A: Related upstream materials(CAS) of 4-Methyl-3-nitrobenzoic acid: 99-94-5;104-85-8;939-79-7;99-87-6;444667-11-2;89-58-7;79822-14-3;4957-14-6;106-49-0;76947-17-6. |
| Q: What is the molecular formula of 4-Methyl-3-nitrobenzoic acid? |
| A: Molecular formula of 4-Methyl-3-nitrobenzoic acid is C8H7NO4. |
| Q: What is the safety information for 4-Methyl-3-nitrobenzoic acid? |
| A: Safety information for 4-Methyl-3-nitrobenzoic acid: S36/37/39-S26-S22. |
| Q: What is the molecular weight of 4-Methyl-3-nitrobenzoic acid? |
| A: Molecular weight of 4-Methyl-3-nitrobenzoic acid is 181.15. |
| Q: What English synonyms does 4-Methyl-3-nitrobenzoic acid have? |
| A: English synonyms of 4-Methyl-3-nitrobenzoic acid: 3-Nitro-p-toluylsaeure, EINECS 202-549-3, p-Toluic acid,3-nitro, 3-Nitro-p-toluic acid, 4-Methyl-3-nitrobenzoic acid, Benzoic acid,4-methyl-3-nitro, 3-nitro-4-methylbenzoic acid, 4-Methyl-3-nitro-benzoesaeure, 4-methyl-3-nitrobenzoicacid, m-Nitro-p-toluic acid, MFCD00007174, 3-Nitro-para-toluic acid. |
| Q: What are the downstream products of 4-Methyl-3-nitrobenzoic acid? |
| A: Related downstream products(CAS) of 4-Methyl-3-nitrobenzoic acid: 50820-65-0;55715-03-2;49592-71-4;31680-07-6;350-28-7;147962-81-0;41191-92-8;223519-08-2;223519-11-7;303133-89-3. |
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. |
| Zhongshan Xingrui Chemical Co. , Ltd. |
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- Shanghai Nianxing Industrial Co., Ltd
- China
- Product Name: 4-Methyl-3-nitrobenzoic acid
- Price: Check
- Purity: 99.0%
- Delivery: 10 Day
- Contact: Yang
- Email: sales@echemcloud.com
- Dayang Chem (Hangzhou) Co., Ltd.
- China
- Product Name: 4-Methyl-3-nitrobenzoic acid
- Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
- Purity: 98.0%
- Delivery: Inquiry
- Contact: Ms Wang
- Email: enquiry@dycnchem.com
- Henan Tianfu Chemical Co., Ltd.
- China
- Product Name: 3-Nitro-p-toluylsure
- Price: $Inquiry/1kg $Inquiry/25kg $Inquiry/1000kg $Inquiry/10ton
- Purity: 99.0%
- Delivery: Inquiry
- Contact: Anson
- Email: info@tianfuchem.com
- Zhongshan Xingrui Chemical Co. , Ltd.
- China
- Product Name: 4-Methyl-3-nitrobenzoic acid
- Price: ￥Inquiry/25kg
- Purity: 99.0%
- Delivery: Inquiry
- Contact: Wang Jie
- Email: 3096638339@qq.com
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