Cas no 78238-12-7 (3-Methoxy-5-nitrobenzoic acid)
3-Methoxy-5-nitrobenzoic acid Chemical and Physical Properties
Names and Identifiers
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- 3-Methoxy-5-nitrobenzoic acid
- 3-methoxy-5-nitro-benzoic acid
- 3-nitro-5-methoxybenzoic acid
- 5-methoxy-3-nitrobenzoic acid
- Benzoic acid, 3-methoxy-5-nitro-
- 3-METHOXY-5-NITROBENZOICACID
- PubChem12823
- 5-Nitro-m-anisic acid
- KSC495K8H
- 3-nitro-5-methoxy benzoic acid
- A3913/0166460
- QXIIPLXNJAJOMR-UHFFFAOYSA-N
- STK687009
- CL8093
- CM10853
- AS04648
- AB08614
- RTR
- A839371
- (1s.Cis)-4-amino-2-cyclopentene-1-methanol
- AM20061113
- 78238-12-7
- Z211300192
- CS-W005811
- AKOS000119312
- DTXSID00415418
- SY104629
- J-512771
- SCHEMBL1099548
- EN300-25530
- MFCD01318045
- FT-0646549
- GS-4028
- DB-081582
- 879-405-7
- DTXCID90366268
- FM67871
-
- MDL: MFCD01318045
- Inchi: 1S/C8H7NO5/c1-14-7-3-5(8(10)11)2-6(4-7)9(12)13/h2-4H,1H3,(H,10,11)
- InChI Key: QXIIPLXNJAJOMR-UHFFFAOYSA-N
- SMILES: O(C)C1=CC(=CC(C(=O)O)=C1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 197.03200
- Monoisotopic Mass: 197.03242232g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 236
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 92.4
Experimental Properties
- Color/Form: No data available
- Density: 1.4±0.1 g/cm3
- Melting Point: No data available
- Boiling Point: 389.5±27.0 °C at 760 mmHg
- Flash Point: 189.4±23.7 °C
- Refractive Index: 1.588
- PSA: 92.35000
- LogP: 1.82480
3-Methoxy-5-nitrobenzoic acid Security Information
- Signal Word:warning
- Hazard Statement: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
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Warning Statement:
P264Thoroughly clean after treatment
P280Wear protective gloves/Wear protective clothing/Wear protective goggles/Wear a protective mask
P305If it enters the eyes
P351Rinse carefully with water for a few minutes
P338Remove the contact lens(If any)And easy to operate,Continue flushing
P337If eye irritation persists
P313Obtain medical advice/care - Safety Instruction: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Storage Condition:Room temperature storage
3-Methoxy-5-nitrobenzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 079590-250mg |
3-Methoxy-5-nitrobenzoic acid |
78238-12-7 | 95% | 250mg |
£11.00 | 2022-03-01 | |
| Fluorochem | 079590-1g |
3-Methoxy-5-nitrobenzoic acid |
78238-12-7 | 95% | 1g |
£34.00 | 2022-03-01 | |
| Fluorochem | 079590-5g |
3-Methoxy-5-nitrobenzoic acid |
78238-12-7 | 95% | 5g |
£101.00 | 2022-03-01 | |
| Fluorochem | 079590-10g |
3-Methoxy-5-nitrobenzoic acid |
78238-12-7 | 95% | 10g |
£162.00 | 2022-03-01 | |
| Alichem | A015001308-1g |
3-Methoxy-5-nitrobenzoic acid |
78238-12-7 | 97% | 1g |
$1445.30 | 2023-09-01 | |
| Chemenu | CM160623-5g |
3-Methoxy-5-nitrobenzoic acid |
78238-12-7 | 95+% | 5g |
$128 | 2021-06-16 | |
| Chemenu | CM160623-10g |
3-Methoxy-5-nitrobenzoic acid |
78238-12-7 | 95+% | 10g |
$204 | 2021-06-16 | |
| ChemScence | CS-W005811-5g |
3-Methoxy-5-nitrobenzoic acid |
78238-12-7 | 5g |
$76.0 | 2022-04-26 | ||
| ChemScence | CS-W005811-10g |
3-Methoxy-5-nitrobenzoic acid |
78238-12-7 | 10g |
$124.0 | 2022-04-26 | ||
| ChemScence | CS-W005811-25g |
3-Methoxy-5-nitrobenzoic acid |
78238-12-7 | 25g |
$474.0 | 2021-09-02 |
3-Methoxy-5-nitrobenzoic acid Related Literature
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
Additional information on 3-Methoxy-5-nitrobenzoic acid
3-Methoxy-5-Nitrobenzoic Acid: A Comprehensive Overview
3-Methoxy-5-nitrobenzoic acid, also known by its CAS number 78238-12-7, is a significant compound in the field of organic chemistry and pharmacology. This compound, characterized by its unique structure with a methoxy group at the 3-position and a nitro group at the 5-position on the benzoic acid backbone, has garnered attention due to its potential applications in drug development and material science.
The chemical structure of 3-methoxy-5-nitrobenzoic acid is defined by its aromatic ring system, which is substituted with electron-donating and electron-withdrawing groups. The methoxy group (-OCH?) at the 3-position introduces electron-donating effects, while the nitro group (-NO?) at the 5-position imparts strong electron-withdrawing characteristics. This combination creates a unique electronic environment that influences the compound's reactivity, solubility, and biological activity.
Recent studies have highlighted the importance of 3-methoxy-5-nitrobenzoic acid in various research domains. For instance, researchers have explored its role as a precursor in synthesizing bioactive molecules, particularly in the development of anti-inflammatory and anticancer agents. The compound's ability to undergo various chemical transformations makes it a valuable intermediate in organic synthesis.
In terms of physical properties, 3-methoxy-5-nitrobenzoic acid exhibits a melting point of approximately 240°C and is sparingly soluble in water but dissolves readily in organic solvents such as dichloromethane and ethyl acetate. These properties make it suitable for use in various laboratory settings where controlled solubility is required.
The synthesis of 3-methoxy-5-nitrobenzoic acid typically involves multi-step reactions, including nitration, methylation, and oxidation processes. Recent advancements in green chemistry have led to the development of more efficient and environmentally friendly methods for its production. For example, researchers have employed microwave-assisted synthesis to enhance reaction yields while reducing energy consumption.
In pharmacology, 3-methoxy-5-nitrobenzoic acid has shown promising results in preclinical studies as a potential anticancer agent. Studies have demonstrated that this compound can inhibit the growth of certain cancer cell lines by targeting key signaling pathways involved in cell proliferation and apoptosis. Furthermore, its ability to modulate inflammatory responses suggests potential applications in treating inflammatory diseases.
The application of 3-methoxy-5-nitrobenzoic acid extends beyond pharmacology into materials science. Researchers have investigated its use as a building block for constructing advanced materials such as coordination polymers and metal-organic frameworks (MOFs). These materials exhibit unique properties that make them suitable for gas storage, catalysis, and sensing applications.
In conclusion, 3-methoxy-5-nitrobenzoic acid, with its distinctive chemical structure and versatile properties, continues to be a focal point in scientific research. Its potential applications span across multiple disciplines, making it an essential compound for further exploration and development.
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