2-Phosphonobutane-1,2,4-tricarboxylic acid

CAS 37971-36-1 · C₇H₁₁O₉P · MW 270.13 g/mol

Full record: 2-Phosphonobutane-1,2,4-tricarboxylic acid — Safety Data Sheet →

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2-Phosphonobutane-1,2,4-tricarboxylic acid (CAS 37971-36-1), C7H11O9P - 3D ball-and-stick molecular model, engraved element symbols (C H O P), MolGod STL preview

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2-Phosphonobutane-1,2,4-tricarboxylic acid (CAS 37971-36-1), C7H11O9P - 3D ball-and-stick molecular model, MolGod STL preview

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关于 2-Phosphonobutane-1,2,4-tricarboxylic acid

2-Phosphonobutane-1,2,4-tricarboxylic acid 是一种化学品，登记号为 CAS 37971-36-1，分子式为 C₇H₁₁O₉P，摩尔质量为 270.13 g/mol。

该分子包含 28 个原子，通过 27 个化学键连接。该化合物的完整系统 IUPAC 名称为 2-phosphonobutane-1,2,4-tricarboxylic acid。上方的交互式 3D 模型可查看原子的空间排列——您可以用鼠标旋转、用滚轮缩放，并在骨架 / 球棍 (Ball & Stick) / 空间填充 (Space Fill) 显示模式之间切换。

在理化性质方面，分配系数 logP = -2.8 (负值，亲水性化合物)，极性表面积 PSA = 169 Å²，5 个氢键供体和 9 个氢键受体。这些参数对于评估生物利用度以及与生物分子的相互作用至关重要。

该化合物的化学数据来自 PubChem（NIH NLM NCBI），全球最大的化学数据库之一。所有信息均自动更新，并附有符合 CLP 法规（EC 1272/2008）的 GHS 危险说明翻译。交互式3D模型和查看器图像受版权保护（© MolGod.org）——使用条款：molgod.org/copyright/。

理化性质

Molecular formula	C₇H₁₁O₉P
Molar mass	270.13 g/mol
IUPAC	2-phosphonobutane-1,2,4-tricarboxylic acid
SMILES	`C(CC(CC(=O)O)(C(=O)O)P(=O)(O)O)C(=O)O`
InChIKey	`SZHQPBJEOCHCKM-UHFFFAOYSA-N`
logP (XLogP3)	-2.8
PSA	169 Å²
HBD / HBA	5 / 9
PubChem CID	CID 61973 ↗

GHS 安全

信号词: 危险

GHS05

GHS05

GHS07

GHS07

H290 — 可能腐蚀金属

H314 — 造成严重皮肤灼伤和眼损伤

H319 — 造成严重眼刺激

科学文献

Related literature

18 articles · 6 open access · Sources: PubMed, OpenAlex, Semantic Scholar

📈 发表时间线（文章数：18）

柱高 = 当年的文章数量。将鼠标悬停在柱上可查看详情。

Highly selective uranium adsorption on 2-phosphonobutane-1,2,4-tricarboxylic acid-decorated chitosan-coated magnetic silica nanoparticles

Yaoyao Huang, Huaili Zheng, Hong Li et al. (2020) · Chemical Engineering Journal

Cytowania: 150$ PaywallDOI ↗

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Uranyl(VI) Interaction with 2-Phosphonobutane-1,2,4-Tricarboxylic Acid (PBTC): A Spectroscopic and Computational Study over a Wide pH Range.

Kretzschmar J, Wollenberg A, Chiorescu I et al. (2025) · Molecules (Basel, Switzerland)

Cytowania: 1Open AccessDOI ↗PubMed ↗PDF ↗

Flotation separation of smithsonite from calcite using 2-phosphonobutane-1,2,4-tricarboxylic acid as a depressant

Cheng Liu, Wencai Zhang, Shaoxian Song et al. (2019) · Powder Technology

Cytowania: 76$ PaywallDOI ↗

Selective flotation of apatite from calcite using 2-phosphonobutane-1,2,4-tricarboxylic acid as depressant

Cheng Liu, Wencai Zhang, Hongqiang Li (2019) · Minerals Engineering

Cytowania: 65$ PaywallDOI ↗

Performance and mechanism of 1-hydroxy ethylidene-1,1-diphosphonic acid and 2-phosphonobutane-1,2,4-tricarboxylic acid in the inhibition of calcium carbonate scale

Yuwei Zuo, Yue Sun, Wenzhong Yang et al. (2021) · Journal of Molecular Liquids

Cytowania: 57$ PaywallDOI ↗

Exploration of adsorption mechanism of 2-phosphonobutane-1,2,4-tricarboxylic acid onto kaolinite and montmorillonite via batch experiment and theoretical studies.

Zhu S, Khan MA, Wang F et al. (2021) · Journal of hazardous materials

Cytowania: 45$ PaywallDOI ↗PubMed ↗

The utilization of 2-phosphonobutane-1,2,4-tricarboxylic acid (PBTCA) as a novel sphalerite depressant in the selective flotation of galena from sphalerite

Jinchan Feng, Bingqiao Yang, Huanyu Zhu et al. (2021) · Applied Surface Science

Cytowania: 39$ PaywallDOI ↗

A synergistic effect of sodium gluconate and 2-phosphonobutane-1,2,4-tricarboxylic acid on the inhibition of CaCO 3 scaling formation

Hsin-Hung Ou, Lin-Han Chiang Hsieh (2016) · Powder Technology

Cytowania: 24$ PaywallDOI ↗

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Formation and Inhibition of Calcium Carbonate Crystals under Cathodic Polarization Conditions

Kun Sheng, Honghua Ge, Xin Huang et al. (2020) · Crystals

Cytowania: 24Open AccessDOI ↗PDF ↗

🔓

Calcium carbonate scale inhibition of a cathode surface under polarization by 2-phosphonobutane-1,2,4-tricarboxylic acid

Kun Sheng, Yanfang Song, Fang Ge et al. (2021) · Desalination and Water Treatment

Cytowania: 7Open AccessDOI ↗PDF ↗

Comparative study on the stabilizing effect of 2-phosphonobutane-1,2,4-tricarboxylic acid and citric acid for alumina suspensions

Yangqiao Liu, Lian Gao, Jingkun Guo (2001) · Colloids and Surfaces A: Physicochemical and Engineering Aspects

Cytowania: 32$ PaywallDOI ↗

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Reactivity of 2-Phosphonobutane-1,2,4-tricarboxylic Acid Esterification

Sheng-Fu Mei, Jin Liu, Zhen Li et al. (2014) · Asian Journal of Chemistry

Cytowania: 2Open AccessDOI ↗PDF ↗

🔓

Corrosion behaviour of stainless steel EN 1.4301 in acid media in presence of PBTCA inhibitor

Tijana Đuričić, Duško Zorić (2020) · Zaštita Materijala

Cytowania: 4Open AccessDOI ↗PDF ↗

A study of the complex formation between trivalent ions (Al3+, Fe3+) and 2-phosphonobutane-1,2,4-tricarboxylic acid and their industrial applications

Victoria Salvadó, Ma Lluı̈sa Escoda, Florencio de la Torre (1999) · Polyhedron

Cytowania: 16$ PaywallDOI ↗

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Chemistry of organophosphonate scale growth lnhibitors: 2. structural aspects of 2-phosphonobutane-1,2,4-tricarboxylic acid monohydrate (PBTC.H2O).

(2005)

Cytowania: 6Open AccessDOI ↗PubMed ↗PDF ↗

Utilization of 2-phosphonobutane-1,2,4-tricarboxylic acid as source of phosphorus by environmental bacterial isolates.

Raschke H, Rast HG, Kleinstück R et al. (1994) · Chemosphere

Cytowania: 13$ PaywallDOI ↗PubMed ↗

The role and mechanism of 2-phosphonobutane-1,2,4-tricarboxylic acid in the flotation separation of pyrite and calcite

Wen Wang, Guanghua Nie, Jiayu Xie et al. (2026) · Minerals Engineering

$ PaywallDOI ↗

2-Phosphonobutane-1,2,4-tricarboxylic acid (PBTCA) degradation by ozonation: Kinetics, phosphorus transformation, anti-precipitation property changes and phosphorus removal.

Xu ZB, Wang WL, Huang N et al. (2019) · Water research

$ PaywallDOI ↗PubMed ↗

Data from PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary generated by Semantic Scholar TLDR. Articles marked with require paid access.

同义词

37971-36-1 · 2-PHOSPHONOBUTANE-1,2,4-TRICARBOXYLIC ACID · 2-Phosphono-1,2,4-butanetricarboxylic acid · 1,2,4-Butanetricarboxylic acid, 2-phosphono- · phosphonobutanetricarboxylic acid · BAYHIBIT AM · 306P37319L · PBTA · PBTC tricarboxylic acid · RefChem:478251 · DTXCID807999 · 253-733-5 · MFCD01940753 · PBTC · C7H11O9P

数据来源

📊 PubChem CID 61973 — NIH
🔬 NIST WebBook — 光谱
💊 ChEMBL — 生物活性

相关分子

Butyric Acid CAS 107-92-6 · C4H8O2 Shared hazard H314 Ammonium citrate CAS 7632-50-0 · C6H11NO7 Similar structure · Tanimoto 0.33 2-Hydroxy-1,2,3-propanetricarboxylic acid hydrate (1:1) CAS 5949-29-1 · C₆H₁₀O₈ Similar structure · Tanimoto 0.33 3-Mercaptopropionic Acid CAS 107-96-0 · C3H6O2S Shared hazard H314 Succinic Acid CAS 110-15-6 · C4H6O4 Similar structure · Tanimoto 0.32 Adipic Acid CAS 124-04-9 · C6H10O4 Similar structure · Tanimoto 0.30

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COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.

模型: 2-Phosphonobutane-1,2,4-tricarboxylic acid · 37971-36-1
InChIKey: SZHQPBJEOCHCKM-UHFFFAOYSA-N
许可协议: CC BY-SA 4.0 International
署名: MolGod Scientific — 2-Phosphonobutane-1,2,4-tricarboxylic acid (CAS 37971-36-1)
许可与来源记录: 2-Phosphonobutane-1,2,4-tricarboxylic acid (CAS 37971-36-1) →
MolGod 分子记录: 2-Phosphonobutane-1,2,4-tricarboxylic acid →
源数据: PubChem CID 61973 ↗
模型信息: 由 MolGod 生成的 STL · MolGod STL Exporter build 48804cd20b0d · 生成于 2026-10-14
SHA-256 (STL): f46eb23ba73de3f21368407ca701b310de4d0ddecb10cdf4252b6bc31db2bf18
MD5 (STL): b165b76b0669ee829f0df33c6753d93e
MolGod Identification Number: MG_336-404-056-83
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更改: 转换为三角化分子网格；原子坐标与连接关系未改变。
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