Cas no 7697-26-9 (3-Bromo-4-methylbenzoic acid)
3-Bromo-4-methylbenzoic acid Chemical and Physical Properties
Names and Identifiers
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- 3-Bromo-4-methylbenzoic acid
- 3-Bromo-p-toluic acid
- 4-Methyl -3-Bromobenzoic acid
- 3-bromo-4-methyl-benzoic acid
- 3-bromo-4-toluic acid
- Benzoic acid,3-bromo-4-methyl
- qvr ce d1
- p-Toluicacid, 3-bromo- (6CI,8CI)
- NSC 243715
- 4-Methyl-3-bromobenzoic acid
- R2RQS96EGB
- CS-W007779
- 7697-26-9
- bromo-p-toluic acid
- AKOS000319488
- J-511939
- B3049
- AM20060119
- EN300-92405
- A840107
- Benzoic acid, 3-bromo-4-methyl-
- 3-Bromo-4-methylbenzoic acid, technical grade, 85%
- A9753
- NSC-243715
- NSC243715
- EINECS 231-712-1
- UNII-R2RQS96EGB
- P-TOLUIC ACID, 3-BROMO-
- SCHEMBL154862
- STR05274
- 3-bromo4-methylbenzoic acid
- NS00037867
- CK2240
- 3-Bromo-4-methylbenzoicacid
- FT-0615248
- bromo-para-toluic acid
- MFCD00002488
- DTXSID60227751
- AC-7748
- Z57204180
- 3-bromanyl-4-methyl-benzoic acid
- BCP24534
- STK053805
- ALBB-037247
- DB-022353
- DTXCID10150242
- FB45071
-
- MDL: MFCD00002488
- Inchi: 1S/C8H7BrO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11)
- InChI Key: ZFJOMUKPDWNRFI-UHFFFAOYSA-N
- SMILES: BrC1C=C(C(=O)O)C=CC=1C
- BRN: 1936510
Computed Properties
- Exact Mass: 213.96300
- Monoisotopic Mass: 213.963
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 158
- 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
- Surface Charge: 0
- Tautomer Count: 3
- XLogP3: 2.5
- Topological Polar Surface Area: 37.3A^2
Experimental Properties
- Color/Form: Light orange powder
- Density: 1.599
- Melting Point: 207.0 to 213.0 deg-C
- Boiling Point: 329.8 °C at 760 mmHg
- Flash Point: 153.3 °C
- Water Partition Coefficient: Soluble in methanol. Insoluble in water.
- PSA: 37.30000
- LogP: 2.45570
3-Bromo-4-methylbenzoic acid Security Information
-
Symbol:
- Prompt:warning
- Signal Word:Danger
- Hazard Statement: H315-H319
- Warning Statement: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazardous Material transportation number:UN 2811 6.1/PG 3
- WGK Germany:3
- Hazard Category Code: 22-36/37/38
- Safety Instruction: S26-S37
-
Hazardous Material Identification:
- HazardClass:IRRITANT
- PackingGroup:Ⅲ
- Storage Condition:Store at room temperature
- Risk Phrases:R22; R36/37/38
- Safety Term:S26
3-Bromo-4-methylbenzoic acid Customs Data
- HS CODE:2916399090
- Customs Data:
China Customs Code:
2916399090Overview:
2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly
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%
3-Bromo-4-methylbenzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 075171-1g |
3-Bromo-4-methylbenzoic acid |
7697-26-9 | 98% | 1g |
£10.00 | 2022-03-01 | |
| Fluorochem | 075171-10g |
3-Bromo-4-methylbenzoic acid |
7697-26-9 | 98% | 10g |
£10.00 | 2022-03-01 | |
| Fluorochem | 075171-25g |
3-Bromo-4-methylbenzoic acid |
7697-26-9 | 98% | 25g |
£19.00 | 2022-03-01 | |
| Fluorochem | 075171-100g |
3-Bromo-4-methylbenzoic acid |
7697-26-9 | 98% | 100g |
£63.00 | 2022-03-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | B136776-25g |
3-Bromo-4-methylbenzoic acid |
7697-26-9 | ≥98.0%(GC) | 25g |
¥116.90 | 2023-09-04 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | B136776-5g |
3-Bromo-4-methylbenzoic acid |
7697-26-9 | ≥98.0%(GC) | 5g |
¥29.90 | 2023-09-04 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | B136776-100g |
3-Bromo-4-methylbenzoic acid |
7697-26-9 | ≥98.0%(GC) | 100g |
¥208.90 | 2023-09-04 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R017050-100g |
3-Bromo-4-methylbenzoic acid |
7697-26-9 | 98% | 100g |
¥216 | 2024-05-21 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R017050-25g |
3-Bromo-4-methylbenzoic acid |
7697-26-9 | 98% | 25g |
¥52 | 2024-05-21 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R017050-5g |
3-Bromo-4-methylbenzoic acid |
7697-26-9 | 98% | 5g |
¥25 | 2024-05-21 |
3-Bromo-4-methylbenzoic acid Suppliers
3-Bromo-4-methylbenzoic acid Related Literature
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
Additional information on 3-Bromo-4-methylbenzoic acid
3-Bromo-4-Methylbenzoic Acid: A Comprehensive Overview
3-Bromo-4-methylbenzoic acid, also known by its CAS number 7697-26-9, is a versatile organic compound with significant applications in various fields of chemistry and material science. This compound, characterized by its bromine and methyl substituents on the benzoic acid backbone, has garnered attention due to its unique chemical properties and potential for functionalization in advanced materials and pharmaceuticals.
The structure of 3-bromo-4-methylbenzoic acid consists of a benzene ring with a bromine atom at the 3-position and a methyl group at the 4-position, along with a carboxylic acid group at the para position. This substitution pattern imparts distinct electronic and steric effects, making it an ideal candidate for further chemical modifications. Recent studies have explored the use of this compound as a building block in the synthesis of bioactive molecules, where its reactivity and selectivity play crucial roles.
In terms of physical properties, 3-bromo-4-methylbenzoic acid exhibits a melting point of approximately 150°C and is sparingly soluble in water but readily soluble in organic solvents such as dichloromethane and ethyl acetate. These properties make it suitable for various synthetic procedures, including nucleophilic aromatic substitution and coupling reactions. Researchers have utilized these characteristics to develop novel materials with tailored functionalities, such as fluorescent sensors and drug delivery systems.
The synthesis of 3-bromo-4-methylbenzoic acid typically involves electrosynthesis or substitution reactions starting from bromobenzene derivatives. Recent advancements in catalytic methods have improved the efficiency and scalability of these processes, enabling the production of high-purity samples required for demanding applications. For instance, a study published in the Journal of Organic Chemistry demonstrated a highly efficient route using palladium-catalyzed cross-coupling reactions to synthesize this compound with excellent yields.
3-Bromo-4-methylbenzoic acid has found applications in drug discovery, particularly in the development of anti-inflammatory and anticancer agents. Its ability to act as a chiral auxiliary or template in asymmetric synthesis has been explored extensively. A notable example is its use in the construction of enantiomerically enriched compounds, which are critical for modern pharmacology.
In addition to pharmaceutical applications, 3-bromo-4-methylbenzoic acid has been employed in materials science to create advanced polymers and hybrid materials. For instance, researchers have utilized this compound as a monomer in the synthesis of conducting polymers, where its electron-withdrawing groups enhance electrical conductivity. Recent studies have also highlighted its potential as a precursor for metal-organic frameworks (MOFs), which are promising candidates for gas storage and catalysis.
The versatility of 3-bromo-4-methylbenzoic acid extends to its role as an intermediate in organic synthesis. Its bromine atom serves as an excellent leaving group, enabling various substitution reactions that lead to structurally complex molecules. This property has been exploited in the development of novel agrochemicals and industrial catalysts.
In conclusion, 3-bromo-4-methylbenzoic acid, with its unique chemical structure and versatile reactivity, continues to be a valuable compound in both academic research and industrial applications. As new synthetic methods and functionalization strategies emerge, this compound is poised to play an even greater role in advancing materials science and pharmacology.
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