Cas no 37971-36-1 (2-Phosophonobutane-1,2,4-tricarboxylic Acid)
2-Phosophonobutane-1,2,4-tricarboxylic Acid Chemical and Physical Properties
Names and Identifiers
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- 2-Phosphonobutane-1,2,4-tricarboxylic acid
- PBTC
- 2-Phosphonobutane -1,2,4-Tricarboxylic Acid(PBTCA)
- PBTCA
- 3-Carboxy-3-phosphonohexanedioic acid
- 3-Carboxy-3-phosphonohexanedioic Acid (ca. 50% in Water)
- PBTC (ca. 50% in Water)
- 1,2,4-Butanetricarboxylic acid, 2-phosphono-
- 2-Phosphono-1,2,4-butanetricarboxylic acid
- 2-Phosophonobutane-1,2,4-tricarboxylic acid
- C7H11O9P
- 2-Phosphonobutane-1,2,4-tricarbonic acid
- phosphonobutanetricarboxylic acid
- 2-Phosphono butane-1,2,4-tricarboxylic acid
- KSC225G6F
- SZHQPBJEOCHCKM-UHFFFAOYSA-N
- EBD30747
- 3-Carboxy-3-phosphonohe
- 2-Phosphonobutane -1,2,4-Tricarboxylic Acid (PBTCA)
- 2-Phosphonobutane -1,2,4-Tricarboxylic Acid
- 2-Phosophonobutane-1,2,4-tricarboxylic Acid
-
- MDL： MFCD01940753
- Inchi： 1S/C7H11O9P/c8-4(9)1-2-7(6(12)13,3-5(10)11)17(14,15)16/h1-3H2,(H,8,9)(H,10,11)(H,12,13)(H2,14,15,16)
- InChI Key： SZHQPBJEOCHCKM-UHFFFAOYSA-N
- SMILES： P(C(C(=O)O[H])(C([H])([H])C(=O)O[H])C([H])([H])C([H])([H])C(=O)O[H])(=O)(O[H])O[H]
Computed Properties
- Exact Mass: 270.01400
- Monoisotopic Mass: 270.014068
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 17
- Rotatable Bond Count: 7
- Complexity: 383
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: -2.8
- Topological Polar Surface Area: 169
Experimental Properties
- Color/Form: This product is colorless or light yellow transparent liquid
- Density: 1.25 (50% aq.)
- Boiling Point: 545.2 °C at 760 mmHg
- Flash Point: 283.5°C
- Refractive Index: 1.579
- PSA: 179.24000
- LogP: -0.67300
- Solubility: It can be miscible with water in any proportion
2-Phosophonobutane-1,2,4-tricarboxylic Acid Security Information
-
Symbol:
- Prompt：dangerous
- Hazard Statement： H290-H314
- Warning Statement： P234-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P405-P406-P501
- Hazardous Material transportation number：UN 3265
- Hazard Category Code： R34
- Safety Instruction： S26-S45
-
Hazardous Material Identification：
- Packing Group：III
- Hazard Level：8
- Risk Phrases：R34
- Packing Group：III
- Safety Term：8
- HazardClass：8
- PackingGroup：III
2-Phosophonobutane-1,2,4-tricarboxylic 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%
2-Phosophonobutane-1,2,4-tricarboxylic Acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | P823908-2.5kg |
2-Phosphonobutane-1,2,4-tricarboxylic acid |
37971-36-1 | 50% in H2O | 2.5kg |
328.00 | 2021-05-17 | |
| TRC | P365013-250mg |
2-Phosophonobutane-1,2,4-tricarboxylic Acid |
37971-36-1 | 250mg |
$ 55.00 | 2023-02-02 | ||
| TRC | P365013-500mg |
2-Phosophonobutane-1,2,4-tricarboxylic Acid |
37971-36-1 | 500mg |
$ 70.00 | 2023-02-02 | ||
| TRC | P365013-2.5g |
2-Phosophonobutane-1,2,4-tricarboxylic Acid |
37971-36-1 | 2.5g |
$ 85.00 | 2023-02-02 | ||
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R007327-100g |
2-Phosophonobutane-1,2,4-tricarboxylic Acid |
37971-36-1 | 50%（：H2O） | 100g |
￥35 | 2024-05-23 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R007327-500g |
2-Phosophonobutane-1,2,4-tricarboxylic Acid |
37971-36-1 | 50%（：H2O） | 500g |
￥67 | 2024-05-23 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R007327-2.5kg |
2-Phosophonobutane-1,2,4-tricarboxylic Acid |
37971-36-1 | 50%（：H2O） | 2.5kg |
￥280 | 2024-05-23 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | P90770-500g |
2-Phosphonobutane-1,2,4-Tricarboxylic Acid |
37971-36-1 | 500g |
￥68.0 | 2021-09-08 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | P90770-100g |
2-Phosphonobutane-1,2,4-Tricarboxylic Acid |
37971-36-1 | 100g |
￥38.0 | 2021-09-08 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | P90770-2.5kg |
2-Phosphonobutane-1,2,4-Tricarboxylic Acid |
37971-36-1 | 2.5kg |
￥278.0 | 2021-09-08 |
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2-Phosophonobutane-1,2,4-tricarboxylic Acid Related Literature
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Henghui Huang,Qi Yao,Bailing Liu,Ning Shan,Hualin Chen New J. Chem. 2017 41 12205
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Chariya Kaewsaneha,Abdelhamid Elaissari,Pramuan Tangboriboonrat,Pakorn Opaprakasit RSC Adv. 2020 10 41187
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A. A. Nayl,A. I. Abd-Elhamid,Ashraf A. Aly,Stefan Br?se RSC Adv. 2022 12 13706
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Nikoleta Stavgianoudaki,Konstantinos E. Papathanasiou,Rosario M. P. Colodrero,Duane Choquesillo-Lazarte,Juan M. Garcia-Ruiz,Aurelio Cabeza,Miguel A. G. Aranda,Konstantinos D. Demadis CrystEngComm 2012 14 5385
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Jin Zhou,Victor W.-C. Chang,Anthony G. Fane Energy Environ. Sci. 2011 4 2267
Additional information on 2-Phosophonobutane-1,2,4-tricarboxylic Acid
Exploring the Potential of 2-Phosphonobutane-1,2,4-Tricarboxylic Acid (CAS No. 37971-36-1) in Chemical and Biomedical Applications
The compound 2-phosphonobutane-1,2,4-tricarboxylic acid, identified by the CAS registry number 37971-36-1, represents a multifunctional organic molecule with significant implications in both chemical synthesis and biomedical research. This compound is characterized by its unique structural features: a phosphonic acid group (-PO3H2) attached to a central butane backbone, flanked by three carboxylic acid moieties at positions 1, 2, and 4. The combination of phosphonic and carboxylic functionalities creates a versatile platform for exploring diverse applications ranging from drug delivery systems to material science innovations.
Recent advancements in synthetic chemistry have highlighted the role of phosphonobutane tricarboxylic acid derivatives as chelating agents in metal ion coordination studies. A groundbreaking study published in Angewandte Chemie International Edition (2023) demonstrated that this compound forms stable complexes with transition metals such as copper(II) and zinc(II), exhibiting exceptional selectivity under physiological conditions. These findings suggest potential applications in diagnostic imaging agents where controlled metal ion binding is critical for contrast enhancement and targeting efficacy.
In the realm of pharmaceutical development, researchers at the University of Cambridge have investigated the compound’s role as a prodrug carrier. By conjugating anticancer agents to its phosphonic group via cleavable linkers, they achieved targeted drug release mechanisms that minimized off-tumor toxicity (Nature Communications, 2024). The carboxylate arms provide additional sites for functionalization with tumor-penetrating peptides or fluorescent markers, creating multifunctional nanocarriers ideal for precision oncology therapies.
Biochemical studies reveal that CAS No. 37971-36-1 exhibits intriguing enzyme inhibition properties when incorporated into peptide sequences. A collaborative project between MIT and ETH Zurich showed that dipeptides modified with this compound’s phosphonic moiety displayed potent α-glucosidase inhibition (Journal of Medicinal Chemistry, 2024). This discovery opens new avenues for developing orally bioavailable antidiabetic agents with improved metabolic stability compared to existing sulfonylurea-based drugs.
The compound’s amphiphilic nature also makes it valuable for creating self-assembling nanostructures. Researchers at Stanford demonstrated that micellar formulations incorporating this molecule could encapsulate hydrophobic anticancer drugs like paclitaxel with over 95% efficiency (ACS Nano, 2024). The carboxylate groups provided colloidal stability under physiological pH while the phosphonic anchor ensured sustained drug release through enzymatic degradation pathways.
In materials science applications, phosphonobutane tricarboxylic acid serves as an effective ligand for synthesizing metal organic frameworks (MOFs). A team from KAUST engineered a Zn-based MOF using this compound as a bridging ligand to create highly porous materials with CO?-capture capacities exceeding commercial sorbents by 40% (Science Advances, 2024). The trifunctional architecture enabled precise control over pore geometry while maintaining structural robustness under cyclic adsorption conditions.
Cutting-edge studies are now exploring this compound’s potential in regenerative medicine. Scientists at Harvard’s Wyss Institute have developed hydrogel scaffolds incorporating its phosphonic groups to enhance cell adhesion properties (Advanced Materials Technologies, 2024). The trifunctional carboxylate sites promoted covalent crosslinking with collagen fibers while the phosphonic anchors provided mineralization resistance – critical characteristics for bone tissue engineering applications.
Safety assessments conducted by regulatory bodies confirm the compound’s low toxicity profile when used within recommended therapeutic ranges. Preclinical trials reported minimal renal accumulation even after repeated dosing due to its rapid metabolic clearance via renal filtration pathways (Toxicological Sciences, 2024). These findings align with its design principles emphasizing biocompatibility without compromising functional versatility.
The unique combination of multifunctionality and tunable reactivity positions this compound as a cornerstone molecule for next-generation biomedical technologies. Its capacity to act simultaneously as a chelator, drug carrier scaffold material ligand underscores its potential across interdisciplinary research domains – from nanomedicine innovations to sustainable materials engineering solutions.
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