Cas no 62176-31-2 (2-Benzyloxy-5-bromobenzoic acid)
2-Benzyloxy-5-bromobenzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-(Benzyloxy)-5-bromobenzoic acid
- 2-BENZYLOXY-5-BROMO-BENZOIC ACID
- Benzoic acid,5-bromo-2-(phenylmethoxy)-
- 5-bromo-2-[(phenylmethyl)oxy]benzoic acid
- 2-Benzyloxy-5-bromobenzoic acid
- 5-bromo-2-phenylmethoxybenzoic acid
- 5-Bromo-2-benzyloxybenzoic acid
- VIQAXGLEBKDMGC-UHFFFAOYSA-N
- KM0583
- STK500999
- BBL036967
- Benzoic acid, 5-bromo-2-(phenylmethoxy)-
- 5-
- DTXSID50368748
- C75921
- SR-01000045329-1
- Z56931703
- EN300-06646
- AKOS001073032
- CS-0156204
- 2-(benzyloxy)-5-bromobenzoicacid
- DS-18645
- SCHEMBL384896
- MFCD04612889
- SR-01000045329
- 62176-31-2
- C14H11BrO3
- ALBB-008969
-
- MDL: MFCD04612889
- Inchi: 1S/C14H11BrO3/c15-11-6-7-13(12(8-11)14(16)17)18-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)
- InChI Key: VIQAXGLEBKDMGC-UHFFFAOYSA-N
- SMILES: BrC1C=CC(=C(C(=O)O)C=1)OCC1C=CC=CC=1
Computed Properties
- Exact Mass: 305.98900
- Monoisotopic Mass: 304.981332
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 276
- 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
- Topological Polar Surface Area: 46.5
- XLogP3: 3.6
Experimental Properties
- Density: 1.514
- Boiling Point: 442.2°C at 760 mmHg
- Flash Point: 221.3°C
- Refractive Index: 1.628
- PSA: 46.53000
- LogP: 3.72630
2-Benzyloxy-5-bromobenzoic acid Security Information
- Signal Word:Warning
- Hazard Statement: H302-H315-H319-H335
- Warning Statement: P261-P305+P351+P338
- HazardClass:IRRITANT
- Storage Condition:Sealed in dry,Room Temperature
2-Benzyloxy-5-bromobenzoic acid Customs Data
- HS CODE:2918990090
- Customs Data:
China Customs Code:
2918990090Overview:
2918990090. Other additional oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
2-Benzyloxy-5-bromobenzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019096675-1g |
2-(Benzyloxy)-5-bromobenzoic acid |
62176-31-2 | 95% | 1g |
$252.00 | 2023-09-01 | |
| TRC | B291418-100mg |
2-Benzyloxy-5-bromobenzoic acid |
62176-31-2 | 100mg |
$ 64.00 | 2023-04-18 | ||
| TRC | B291418-250mg |
2-Benzyloxy-5-bromobenzoic acid |
62176-31-2 | 250mg |
$ 115.00 | 2023-04-18 | ||
| TRC | B291418-500mg |
2-Benzyloxy-5-bromobenzoic acid |
62176-31-2 | 500mg |
$ 178.00 | 2023-04-18 | ||
| TRC | B291418-1g |
2-Benzyloxy-5-bromobenzoic acid |
62176-31-2 | 1g |
$ 253.00 | 2023-04-18 | ||
| Matrix Scientific | 040003-500mg |
2-(Benzyloxy)-5-bromobenzoic acid |
62176-31-2 | 500mg |
$126.00 | 2023-09-11 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-IN166-200mg |
2-Benzyloxy-5-bromobenzoic acid |
62176-31-2 | 95+% | 200mg |
123.0CNY | 2021-08-05 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-IN166-1g |
2-Benzyloxy-5-bromobenzoic acid |
62176-31-2 | 95+% | 1g |
432.0CNY | 2021-08-05 | |
| Fluorochem | 218618-250mg |
2-(Benzyloxy)-5-bromobenzoic acid |
62176-31-2 | 95% | 250mg |
£29.00 | 2022-02-28 | |
| Fluorochem | 218618-1g |
2-(Benzyloxy)-5-bromobenzoic acid |
62176-31-2 | 95% | 1g |
£68.00 | 2022-02-28 |
2-Benzyloxy-5-bromobenzoic acid Suppliers
2-Benzyloxy-5-bromobenzoic acid Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
Additional information on 2-Benzyloxy-5-bromobenzoic acid
Compound CAS No. 62176-31-2: 2-Benzyloxy-5-bromobenzoic Acid
2-Benzyloxy-5-bromobenzoic acid, also known by its CAS registry number 62176-31-2, is a significant organic compound with a diverse range of applications in the fields of pharmaceuticals, agrochemicals, and materials science. This compound is characterized by its unique structure, which includes a benzoic acid moiety substituted with a benzyl group at the 2-position and a bromine atom at the 5-position. The combination of these substituents imparts distinctive chemical and physical properties to the molecule, making it a valuable compound for various research and industrial purposes.
The chemical structure of 2-Benzyloxy-5-bromobenzoic acid is composed of a benzene ring with three substituents: a hydroxyl group (-OH) attached to the benzoic acid moiety, a benzyl group (-OCH?C?H?) at the 2-position, and a bromine atom (Br) at the 5-position. This arrangement creates steric and electronic effects that influence the compound's reactivity, solubility, and stability. The benzyloxy group contributes to the molecule's lipophilicity, while the bromine substituent introduces halogen-related properties, such as increased reactivity in certain chemical reactions.
Recent studies have highlighted the potential of 2-Benzyloxy-5-bromobenzoic acid in drug discovery and development. Researchers have explored its role as a precursor in the synthesis of bioactive molecules, particularly in the design of kinase inhibitors and other therapeutic agents. The compound's ability to undergo various functional group transformations makes it an ideal building block for constructing complex molecular architectures.
In terms of physical properties, 2-Benzyloxy-5-bromobenzoic acid exhibits a melting point of approximately 180°C and is sparingly soluble in water but readily soluble in organic solvents such as dichloromethane and ethyl acetate. These characteristics are advantageous for its use in organic synthesis and purification processes.
The synthesis of 2-Benzyloxy-5-bromobenzoic acid typically involves multi-step procedures that include nucleophilic aromatic substitution, Friedel-Crafts acylation, or coupling reactions. Recent advancements in catalytic methods have enabled more efficient and environmentally friendly routes to this compound, aligning with the principles of green chemistry.
Beyond its role as an intermediate in organic synthesis, 2-Benzyloxy-5-bromobenzoic acid has shown promise in materials science applications. For instance, researchers have investigated its potential as a component in advanced polymer systems and as a precursor for generating functional materials with tailored properties.
In conclusion, CAS No. 62176-31-2, or 2-Benzyloxy-5-bromobenzoic acid, stands out as a versatile compound with significant potential across multiple disciplines. Its unique structure, combined with recent research advancements, positions it as an essential tool for scientists and engineers seeking innovative solutions in drug development, materials innovation, and beyond.
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