[1,1-联苯]-2,4-二羧酸 | 606-80-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: [1,1-联苯]-2,4-二羧酸
• 英文名称: (1,1'-biphenyl)-2,4'-dicarboxylic acid
• 英文别名: biphenyl-2,4'-dicarboxylic acid；2,4'-biphenyldicarboxylic acid；biphenyl-2,4’-dicarboxylic acid；[1,1'-Biphenyl]-2,4'-dicarboxylic acid；2-(4-carboxyphenyl)benzoic acid
• CAS: 606-80-4
• 化学式: C₁₄H₁₀O₄
• 分子量: 242.231
• InChiKey: WKSIHEZXQNJQCB-UHFFFAOYSA-N

物化性质

• 熔点：
  265 °C
• 沸点：
  451.9±28.0 °C(Predicted)
• 密度：
  1.347±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2917399090
• 危险性防范说明：
  P233,P260,P261,P264,P270,P271,P280,P301+P312,P302+P352,P304,P304+P340,P305+P351+P338,P312,P321,P330,P332+P313,P337+P313,P340,P362,P403,P403+P233,P405,P501
• 危险性描述：
  H302,H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-(4-Carboxyphenyl)benzoic acid
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: 2-(4-Carboxyphenyl)benzoic acid
CAS number: 606-80-4

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C14H10O4
Molecular weight: 242.2

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  [1,1-联苯]-2,4-二羧酸 生成 9-芴酮-2-羧酸
  参考文献：
  名称：

  Gomberg; Pernert, Journal of the American Chemical Society, 1926, vol. 48, p. 1381

  摘要：

  DOI：
• 作为产物：
  描述：

  9-芴酮-2-羧酸 在 氢氧化钾 作用下， 生成 [1,1-联苯]-2,4-二羧酸
  参考文献：
  名称：

  Kruber, Chemische Berichte, 1932, vol. 65, p. 1382,1392

  摘要：

  DOI：

文献信息

• Formation of Cyclopent[a]indene and Acenaphthylene from Allyl Esters of Biphenyl Mono- and Di-carboxylic Acids and from Biphenyl Dicarboxylic Anhydrides on Flash Vacuum Pyrolysis at 1000 - 1100°C
  作者：Jayant B. Bapat,、Roger F. C. Brown、Glenn H. Bulmer,、Trevor Childs,、Karen J. Coulston、Frank W. Eastwood、Dennis K. Taylar

  DOI：10.1071/c97119

  日期：——

  Flash vacuum pyrolysis at 1000-1100°C of the allyl esters of the three isomeric biphenylcarboxylic acids, of the allyl esters of the 12 biphenyldicarboxylic acids and of the three biphenyldicarboxylic anhydrides gave pyrolysates which were examined by 1H n.m.r. spectroscopy at temperatures below -50°C. In all cases the spectra showed the presence of cyclopent[a]indene and acenaphthylene together with other products. Possible mechanisms for these ring contraction and cyclization processes are discussed and the results of pyrolyses of [2,3-13C2] biphenyl-2,3-dicarboxylic anhydride, and [3,4-13C2]- and (2-2 H1)-biphenyl-3,4-dicarboxylic anhydrides are reported.

  在 1000-1100°C 下闪速真空热解三种异构联苯羧酸的烯丙基酯 在 1000-1100°C 下闪速真空热解三种异构联苯羧酸的烯丙基酯、12 联苯二甲酸的烯丙基酯和三种联苯二甲酸酐的烯丙基酯 得到的热解产物通过 1H n.m.r. 光谱进行了检测。在所有情况下，光谱都显示 存在环戊并[a]茚和 苊烯和其他产物。这些 环收缩和环化过程的可能机制进行了讨论，并对 2,3-13C2]的热解结果。 联苯-2,3-二羧酸酐和 [3,4-13C2]和 (2-2 H1)-联苯-3,4-二羧酸酐的热解结果。 酐。
• Two Zn(II)-bearing complexes: treatment activity combined with Sevoflurane on breast cancer by regulating the Yap signaling pathway
  作者：Yan-Liang Guan、Tong Xue、Qi Zou、Shu-Fang Pang

  DOI：10.1080/24701556.2021.1952236

  日期：2022.5.4

  In the current study, by using the mixed-ligand synthesis approach, two new Zn(II)-containing coordination polymers (CPs), namely, [Zn3(bpda)3(bib)2]·H2O (1), [Zn5(OH)2(H2O)2(bpda)4(bib)2]·2H2O (2), (H2bpda = biphenyl-2,4′-dicarboxylic acid, bib = 1,4-bis(1-imidazolyl)benzene) were solvothermally synthesized. Furthermore, the inhibitory activity of the two compounds against the breast cancer was determined

  摘要 在目前的研究中，通过使用混合配体合成方法，两种新的含Zn(II)的配位聚合物(CPs)，即[Zn 3 (bpda) 3 (bib) 2 ]·H 2 O ( 1 )， [Zn 5 (OH) 2 (H 2 O) 2 (bpda) 4 (bib) 2 ]·2H 2 O ( 2 ), (H 2bpda =联苯-2,4'-二羧酸，bib = 1,4-双（1-咪唑基）苯）是溶剂热合成的。此外，确定了这两种化合物对乳腺癌的抑制活性，并研究了详细的机制。首先，采用跨孔法测定化合物对乳腺癌迁移能力的抑制活性。除此之外，实时RT-PCR被用来深入测量YAP相对表达水平的信号通路。
• Three 3D Co(<scp>ii</scp>) cluster-based MOFs constructed from polycarboxylate acids and bis(imidazole) ligands and their derivatives: magnetic properties and catalytic performance for the ORR
  作者：Ming-Xing Yang、Li-Juan Chen、Rong Ma、Jian-Nan Cai、Yuan-De Shi、Shen Lin

  DOI：10.1039/c9dt02278c

  日期：——

  pentanuclear Co(II) cluster, features a porous 3D MOF with a regular nanosized tunnel. Complex 3 contains an interesting tetranuclear Co(II) cluster and displays an amazing 3D porous MOF built from double-layered 2D [Co2(μ3-OH)(bpt)3]n networks pillared by two rows of bib spacers. In the title complexes, polycarboxylate acids serve to construct and stabilize the polynuclear Co(II) clusters, while bis(imidazole)s

  包含多核Co（II）单元，[Co 3（bpda）3（bib）2 ]·H 2 O（1），[Co 5（OH）2（H 2 O）2（bpda）4（3）的三种3D聚合物络合物bib）2 ]·2H 2 O（2）和[Co 2（OH）（bib）（bpt）]·H 2 O（3）（H 2 bpda =联苯-2,4'-二羧酸，H 3 bpt ＝联苯基-3，4′，5-三羧酸，bib ＝ 1，4-双（1-咪唑基）苯）是通过尿热合成法制备的。复杂的图1展示了一个不寻常的（4,6）连接的3D网络，该网络基于双核Co（II）簇和由bpda 2-和bib配体桥接的Co 2+中心。包含新型五核Co（II）簇的复合物2具有多孔3D MOF，具有规则的纳米尺寸通道。复杂的3包含了一个有趣的四核的Co（II）群集，并显示从双层2D构建的惊人的3D多孔MOF [CO 2（μ 3 -OH）（BPT）3 ] Ñ通过围兜间隔的两排柱网络。在
• [EN] 2-(1,1 '-BIPHENYL)-1 H-BENZO[D]IMIDAZOLE DERIVATIVES AND RELATED COMPOUNDS AS APELIN AND APJ AGONISTS FOR TREATING CARDIOVASCULAR DISEASES<br/>[FR] DÉRIVÉS DE 2-(1,1'-BIPHÉNYL)-1H-BENZO[D]IMIDAZOLE ET COMPOSÉS APPARENTÉS EN TANT QU'AGONISTES D'APÉLINE ET D'APJ POUR LE TRAITEMENT DE MALADIES CARDIOVASCULAIRES
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2019036024A1

  公开（公告）日：2019-02-21

  The present invention provides compounds of Formula (I): wherein all variables are as defined in the specification. The compounds are apelin and APJ agonists for treating cardiovascular diseases. Preferred compounds are 2-(l,l'-biphe -lH-benzo[d]imidazole derivatives. The invention further provides compositions comprising the compounds and the compounds for use in methods of medical treatment.

  本发明提供了如下式（I）的化合物：其中所有变量如规范中定义。这些化合物是治疗心血管疾病的apelin和APJ激动剂。首选的化合物是2-(l,l'-联苯-1H-苯并[d]咪唑衍生物。本发明还提供了包含这些化合物的组合物以及用于医疗治疗方法的这些化合物。
• MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME
  申请人：TABATA Masayoshi

  公开号：US20110224343A1

  公开（公告）日：2011-09-15

  The present invention provides a modifier for aromatic polyesters which enhances the melt fluidity of aromatic polyesters without a significant decrease in the heat resistance of the aromatic polyesters, and an aromatic polyester resin composition including the modifier for aromatic polyesters. The present invention relates to a modifier for aromatic polyesters comprising polyhydric phenol residues and residues of aromatic polycarboxylic acid, acid halide or acid anhydride thereof, and the modifier comprises a material having a structure composed of a first residue selected from the group consisting of divalent residues represented by Formula (I): —Ar—W 1 x —Ar— and by Formula (II): —Ar—, the first residues being bonded to two identical or different second residues selected from the group consisting of monovalent residues represented by Formula (III): and monovalent residues represented by Formula (IV): —O—C(O)—R 7 —.

  本发明提供了一种用于芳香族聚酯的改性剂，可以增强芳香族聚酯的熔融流动性，而不明显降低芳香族聚酯的耐热性，以及包括该改性剂的芳香族聚酯树脂组合物。本发明涉及一种用于芳香族聚酯的改性剂，包括多羟基酚残基和芳香族多羧酸、酸卤或其酸酐残基，该改性剂包括具有以下结构的材料：第一残基，选择自由式(I)所代表的二价残基：—Ar—W1x—Ar—和自由式(II)所代表的：—Ar—，第一残基与选择自由式(III)所代表的单价残基：和自由式(IV)所代表的单价残基：—O—C(O)—R7—的两个相同或不同的第二残基结合。