Cas no 851335-09-6 (4-borono-3-chlorobenzoic acid)
4-borono-3-chlorobenzoic acid Chemical and Physical Properties
Names and Identifiers
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- 4-Carboxy-2-chlorophenylboronic acid
- 4-Carboxy-2-chlorophenylboronic Acid (contains varying amounts of Anhydride)
- 2-Chloro-4-carboxyphenylboronic acid
- 4-borono-3-chlorobenzoic acid
- Benzoic acid,4-borono-3-chloro-
- 4-Carboxy-2-chlorobenzeneboronic acid
- 4-Carboxy-2-chlorobenzeneboronic Acid (contains varying amounts of Anhydride)
- BENZOIC ACID, 4-BORONO-3-CHLORO-
- 3-chloro-4-(dihydroxyboranyl)benzoic acid
- KSC497Q8L
- 4-borono-3-chloro benzoic acid
- FYDHSNLXZRGWFU-UHFFFAOYSA-N
- ZXBA000472
- SBB065902
- OR5712
- 4-Borono-3-chlorobenzoic acid (ACI)
- 3-Chloro-4-(dihydroxyboryl)benzoic acid
- 4-(Dihydroxyboranyl)-3-chlorobenzoic acid
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- MDL: MFCD07363763
- Inchi: 1S/C7H6BClO4/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3,12-13H,(H,10,11)
- InChI Key: FYDHSNLXZRGWFU-UHFFFAOYSA-N
- SMILES: O=C(C1C=C(Cl)C(B(O)O)=CC=1)O
Computed Properties
- Exact Mass: 200.00500
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 199
- Topological Polar Surface Area: 77.8
Experimental Properties
- Melting Point: 212-216°C
- Boiling Point: 429.7°C at 760 mmHg
- PSA: 77.76000
- LogP: -0.28200
4-borono-3-chlorobenzoic acid Security Information
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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
- Hazard Category Code: 41
- Safety Instruction: 26-39
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Hazardous Material Identification:
- HazardClass:IRRITANT, KEEP COLD
- Storage Condition:Inert atmosphere,2-8°C
4-borono-3-chlorobenzoic acid Customs Data
- HS CODE:2931900090
- Customs Data:
China Customs Code:
2931900090Overview:
2931900090. Other organic-Inorganic compound. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods). MFN tariff:6.5%. general tariff:30.0%
Summary:
2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%
4-borono-3-chlorobenzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019120005-25g |
4-Carboxy-2-chlorophenylboronic acid |
851335-09-6 | 97% | 25g |
$225.57 | 2023-08-31 | |
| Alichem | A019120005-100g |
4-Carboxy-2-chlorophenylboronic acid |
851335-09-6 | 97% | 100g |
$558.96 | 2023-08-31 | |
| NAN JING HUA XUE SHI JI GU FEN Co., Ltd. | C0685099451- 5g |
4-borono-3-chlorobenzoic acid |
851335-09-6 | 98%(HPLC) | 5g |
¥ 882.4 | 2021-05-18 | |
| Chemenu | CM135755-5g |
4-Carboxy-2-chlorophenylboronic acid |
851335-09-6 | 95+% | 5g |
$55 | 2021-08-05 | |
| Chemenu | CM135755-10g |
4-Carboxy-2-chlorophenylboronic acid |
851335-09-6 | 95+% | 10g |
$98 | 2021-08-05 | |
| Chemenu | CM135755-25g |
4-Carboxy-2-chlorophenylboronic acid |
851335-09-6 | 95+% | 25g |
$181 | 2021-08-05 | |
| Apollo Scientific | OR5712-5g |
4-Carboxy-2-chlorobenzeneboronic acid |
851335-09-6 | 97+% | 5g |
£42.00 | 2025-02-20 | |
| Apollo Scientific | OR5712-25g |
4-Carboxy-2-chlorobenzeneboronic acid |
851335-09-6 | 97+% | 25g |
£152.00 | 2025-02-20 | |
| Apollo Scientific | OR5712-100g |
4-Carboxy-2-chlorobenzeneboronic acid |
851335-09-6 | 97+% | 100g |
£414.00 | 2025-02-20 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-HU242-5g |
4-borono-3-chlorobenzoic acid |
851335-09-6 | 97% | 5g |
400.0CNY | 2021-08-04 |
4-borono-3-chlorobenzoic acid Suppliers
4-borono-3-chlorobenzoic acid Related Literature
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
Additional information on 4-borono-3-chlorobenzoic acid
Comprehensive Overview of 4-Borono-3-Chlorobenzoic Acid (CAS No. 851335-09-6): Properties, Applications, and Innovations
4-Borono-3-chlorobenzoic acid (CAS No. 851335-09-6) is a specialized boronic acid derivative that has garnered significant attention in pharmaceutical and materials science research. This compound, characterized by its unique boron and chlorine functional groups, serves as a versatile building block in Suzuki-Miyaura cross-coupling reactions, a cornerstone of modern organic synthesis. With the rise of precision medicine and targeted drug delivery, researchers are increasingly exploring boron-containing compounds like this for their potential in protease inhibition and bioimaging applications.
The molecular structure of 4-borono-3-chlorobenzoic acid features a benzoic acid backbone substituted with a boronic acid group at the 4-position and a chlorine atom at the 3-position. This arrangement enables selective reactivity, making it invaluable for designing bioconjugates and small-molecule inhibitors. Recent studies highlight its role in developing PET (Positron Emission Tomography) tracers, where boron’s neutron-capture properties are leveraged for cancer theranostics. Users searching for "boronic acid applications in drug discovery" or "CAS 851335-09-6 synthesis methods" will find this compound particularly relevant.
From an industrial perspective, 4-borono-3-chlorobenzoic acid is synthesized through palladium-catalyzed borylation or halogen-lithium exchange reactions, with yields optimized for scalability. Its stability under ambient conditions and solubility in polar solvents like DMSO and methanol facilitate handling in laboratory settings. Environmental concerns have also driven interest in green chemistry approaches for its production, aligning with trends like "sustainable chemical synthesis"—a top search query among chemists.
In the context of AI-driven drug design, computational models frequently utilize boron-containing scaffolds to predict binding affinities for enzyme targets. The compound’s CAS No. 851335-09-6 is often referenced in cheminformatics databases, underscoring its utility in virtual screening. Additionally, its compatibility with high-throughput screening (HTS) platforms makes it a candidate for fragment-based drug discovery—a hot topic in pharmaceutical R&D forums.
Beyond pharmaceuticals, 4-borono-3-chlorobenzoic acid finds niche applications in material science, particularly in designing MOFs (Metal-Organic Frameworks) with tailored porosity for gas storage. Researchers investigating "boron-doped carbon materials" or "halogenated aromatic boronic acids" often explore its derivatives. The compound’s X-ray crystallography data, available in public repositories, further aids in structure-activity relationship (SAR) studies.
Quality control of CAS 851335-09-6 involves rigorous HPLC and NMR analyses to ensure purity, a critical factor for reproducibility in peer-reviewed studies. Suppliers typically provide COA (Certificate of Analysis) documentation, addressing the growing demand for transparent chemical sourcing—a priority for academic and industrial buyers alike.
In summary, 4-borono-3-chlorobenzoic acid exemplifies the intersection of medicinal chemistry and advanced materials. Its dual functionality as a synthetic intermediate and biological probe positions it at the forefront of innovations in personalized therapeutics and smart materials. For those querying "boronic acid stability" or "chlorobenzoic acid derivatives," this compound offers a compelling case study in modern chemical research.
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