2-Methyl-4-nitrobenzoic acid
- CAS No.
- 1975-51-5
- Chemical Name:
- 2-Methyl-4-nitrobenzoic acid
- Synonyms
- 4-Nitro-2-methylbenzoicacid;2-Methyl-4-nitrobenz;Tovaptan impurity 25;4-nitro-o-toluic acid;Tolvaptan Impurity 31;Lenalidomide Impurity 41;Tolvaptan Intermediate 1;2-Methyl-4-nitrobenzoic acid;4-Nito-2-methyl-benzoic-acid;E4-Nitro-2-methyl benzoic acid
- CBNumber:
- CB5498796
- Molecular Formula:
- C8H7NO4
- Molecular Weight:
- 181.15
- MDL Number:
- MFCD00210697
- MOL File:
- 1975-51-5.mol
- MSDS File:
- SDS
- TDS File:
- TDS
| Product description | Number | Pack Size | Price |
| 2-Methyl-4-nitrobenzoic acid 97% | 638315 | 5g | $199 |
| 2-Methyl-4-nitrobenzoic acid Asreported | 281727 | 25g | $347 |
| 2-Methyl-4-nitrobenzoic acid Asreported | 281727 | 50g | $468 |
| 2-Methyl-4-nitrobenzoic acid Asreported | 281727 | 100g | $628 |
| 2-Methyl-4-nitrobenzoic acid Asreported | 281727 | 250g | $885 |
| More product size | |||
| Melting point | 150-154 °C (lit.) |
|---|---|
| Boiling point | 153 °C |
| Density | 1.392±0.06 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | pK1:1.86 (25°C) |
| color | Pale Yellow to Yellow |
| InChI | InChI=1S/C8H7NO4/c1-5-4-6(9(12)13)2-3-7(5)8(10)11/h2-4H,1H3,(H,10,11) |
| InChIKey | XXXOBNJIIZQSPT-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC=C([N+]([O-])=O)C=C1C |
| FDA UNII | N5G57JE9C2 |
| UNSPSC Code | 12352100 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H302-H317 | |||||||||
| Precautionary statements | P280-P301+P312+P330-P302+P352 | |||||||||
| PPE | dust mask type N95 (US), Eyeshields, Faceshields, Gloves | |||||||||
| Hazard Codes | Xn | |||||||||
| Risk Statements | 22-43 | |||||||||
| Safety Statements | 37/39 | |||||||||
| WGK Germany | 3 | |||||||||
| HS Code | 29163100 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Acute Tox. 4 Oral Skin Sens. 1 |
|||||||||
| REACH Registrations | Active | |||||||||
| NFPA 704 |
|
2-Methyl-4-nitrobenzoic acid price More Price(94)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 638315 | 2-Methyl-4-nitrobenzoic acid 97% | 1975-51-5 | 5g | $199 | 2023-06-20 | Buy |
| Usbiological | 281727 | 2-Methyl-4-nitrobenzoic acid Asreported | 1975-51-5 | 25g | $347 | 2026-06-03 | Buy |
| Usbiological | 281727 | 2-Methyl-4-nitrobenzoic acid Asreported | 1975-51-5 | 50g | $468 | 2026-06-03 | Buy |
| Usbiological | 281727 | 2-Methyl-4-nitrobenzoic acid Asreported | 1975-51-5 | 100g | $628 | 2026-06-03 | Buy |
| Usbiological | 281727 | 2-Methyl-4-nitrobenzoic acid Asreported | 1975-51-5 | 250g | $885 | 2026-06-03 | Buy |
2-Methyl-4-nitrobenzoic acid Chemical Properties,Uses,Production
Uses
2-Methyl-4-nitrobenzoic acid is used as a reagent to synthesize amino-1H-pyrazole amide derivatives, compounds that act as Raf kinase inhibitors in melanoma cells. 2-Methyl-4-nitrobenzoic acid is also used as a reagent to synthesize fluorogenic substrates, compounds that can be used for activity imaging within living cells.
Synthesis
99-51-4
1975-51-5
The general procedure for the synthesis of 2-methyl-4-nitrobenzoic acid from 4-nitrophthalic acid is as follows: in a 50 mL three-necked round-bottomed flask equipped with a magnetic stirrer and reflux condenser, 4-nitrophthalic acid (0.15 g, 1 mmol), N-hydroxyphthalimide (NHPI, 0.05 g, 0.3 mmol), 40% nitric acid (1.26 g, 8 mmol), cobalt chloride hexahydrate (CoCl2-6H2O, 7.1 mg, 0.03 mmol), manganese acetate tetrahydrate (Mn(OA)), and cobalt chloride hexahydrate (CoCl2-6H2O). , 8 mmol), cobalt chloride hexahydrate (CoCl2-6H2O, 7.1 mg, 0.03 mmol), manganese acetate tetrahydrate (Mn(OAc)2-4H2O, 7.1 mg, 0.03 mmol), and phase transfer catalyst (0.04 mmol). The reaction mixture was heated to reflux at atmospheric pressure for 12 hours. After completion of the reaction, it was cooled to room temperature and washed with 10 mL of water. The aqueous phase was extracted with ethyl acetate (3 x 5 mL), the organic phases were combined and dried over anhydrous sodium sulfate. Ethyl acetate was removed from the organic phase by rotary evaporation and the crude product was quantified by HPLC analysis based on an internal standard (2,4-dinitrotoluene). The crude product was recrystallized by ethanol/water (3:1) to afford white acicular crystals of 2-methyl-4-nitrobenzoic acid (0.13 g, 72% yield) with melting point 151-152°C. IR (KBr) ν/cm-1 : 1702 (C=O).1H NMR (CDCl3, 500 MHz) δ: 2.79 (s, 3H, CH3), 8.13- 8.17 (m, 2H, Ar-H), 8.21 (d, 1H, J=6.8Hz, Ar-H). The by-product 4-nitrophthalic acid was separated by column chromatography (ethyl acetate/hexane, 1:5) to give light-colored acicular crystals with a melting point of 163°C. IR (KBr) ν/cm-1 : 1730, 1677 (C=O).1H NMR (CDCl3, 500MHz) δ: 7.86 (d, J=8.6Hz, 1H, Ar-H), 8.36 ( dd, J1=8.6Hz, J2=2.0Hz, 1H, Ar-H), 8.42 (d, J=2.0Hz, 1H, Ar-H).
References
[1] Chemical Papers, 2015, vol. 69, # 4, p. 580 - 585
[2] Patent: CN106995374, 2017, A. Location in patent: Paragraph 0043; 0044; 0045; 0046; 0047; 0048; 0049-0057
[3] Journal of Organic Chemistry, 2018, vol. 83, # 15, p. 8092 - 8103
[4] Patent: CN105777565, 2016, A. Location in patent: Paragraph 0006
2-Methyl-4-nitrobenzoic acid Preparation Products And Raw materials
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Hebei Yanxi Chemical Co., Ltd. | +8618531123677 | faithe@yan-xi.com | China | 5853 | 58 |
| Shanghai Joiny Pharmaceutical Co.,LTD | +86-13681955282 +86-13681955282; | gyd@joiny-pharma.com | China | 402 | 58 |
| Henan Fengda Chemical Co., Ltd | +86-371-86557731 +86-13613820652 | info@fdachem.com | China | 20122 | 58 |
| Hebei Zhuanglai Chemical Trading Co Ltd | +86-16264648883 | niki@zlchemi.com | China | 7245 | 58 |
| Capot Chemical Co.,Ltd. | +86-（0）57185586718 +86-13336195806 | sales@capot.com | China | 29640 | 60 |
| Beijing Cooperate Pharmaceutical Co.,Ltd | 010-60279497 | sales01@cooperate-pharm.com | CHINA | 1803 | 55 |
| Henan Tianfu Chemical Co.,Ltd. | +86-0371-55170693 +86-19937530512 | info@tianfuchem.com | China | 21587 | 55 |
| career henan chemical co | +86-0371-86658258 +8613203830695 | sales@coreychem.com | China | 29815 | 58 |
| NINGBO INNO PHARMCHEM CO., LTD. | 13867897135 | sales@nbinno.com | CHINA | 923 | 58 |
| Changzhou Ansciep Chemical Co., Ltd. | +86 519 86305871 | sales@ansciepchem.com | CHINA | 4241 | 58 |
View Lastest Price from 2-Methyl-4-nitrobenzoic acid manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
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2026-03-12 | Tolvaptan Impurity 31 | 10mg | 98% | 500mg | ShenZhen H&D Pharmaceutical Technology Co., LTD | ||
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2025-12-29 | 2-Methyl-4-nitrobenzoic acid
1975-51-5
|
1kg | 98% | Changzhou waston chemical technology Co.,Ltd | |||
 |
2025-11-19 | 2-Methyl-4-nitrobenzoic acid
1975-51-5
|
1kg | 98% | 1000kg | Shanghai Joiny Pharmaceutical Co.,LTD |
-
- Tolvaptan Impurity 31
- 98%
- ShenZhen H&D Pharmaceutical Technology Co., LTD
-
- 2-Methyl-4-nitrobenzoic acid
1975-51-5
- $0.00
- 98%
- Changzhou waston chemical technology Co.,Ltd
-
- 2-Methyl-4-nitrobenzoic acid
1975-51-5
- $0.00
- 98%
- Shanghai Joiny Pharmaceutical Co.,LTD
