联苯-3,4’-二羧酸 | 92152-01-7

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物 - 环羧酸
• 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: 联苯-3,4’-二羧酸
• 中文别名: 4-(3-羧基苯基)苯甲酸
• 英文名称: biphenyl-3,4′-dicarboxylic acid
• 英文别名: biphenyl-3,4'-dicarboxylic acid；biphenyl-3,4'-dicarboxylate；3,4′-H2bpdc；H2(3,4'-BPDC)；3.4'-H2bpdc；Biphenyl-3,4'-dicarbonsaeure；3-(4-carboxyphenyl)benzoic acid
• CAS: 92152-01-7
• 化学式: C₁₄H₁₀O₄
• 分子量: 242.231
• InChiKey: GSYIVQLTSZFJRV-UHFFFAOYSA-N

物化性质

• 熔点：
  332 °C
• 沸点：
  503.1±43.0 °C(Predicted)
• 密度：
  1.347±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 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：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  存储条件：室温、密闭且干燥环境下保存。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Biphenyl-3,4’-dicarboxylic 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: Biphenyl-3,4’-dicarboxylic acid
CAS number: 92152-01-7

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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：

  联苯-3,4’-二羧酸 在 氯化亚砜 作用下， 反应 5.0h， 生成 3-(4-Carbonochloridoylphenyl)benzoyl chloride
  参考文献：
  名称：

  Topology and Spin Alignment in a Novel Organic High-Spin Molecule, 3,4'-Bis(phenylmethylene)biphenyl, As Studied by ESR and a Generalized UHF Hubbard Calculation

  摘要：

  In order to examine the role of pi topology in spin alignment of organic molecules, a novel high-spin hydrocarbon, 3,4'-bis(phenylmethylene)biphenyl, has been designed, synthesized, and characterized by powder-pattern and single-crystal ESR spectroscopies. The spin multiplicity of its electronic ground state is a quintet (S = 2) in contrast to its x-topological isomer, 3,3'-bis(phenylmethylene)biphenyl (ground-state singlet). The g and fine-structure tensors have been determined accurately: g = 2.003 (isotropic), D = 0.1250 cm(-1), and E = -0.0065 cm(-1). The striking contrast in spin multiplicity clearly shows that spin alignment in organic molecules is highly dependent on the topology in their pi electron networks. This electronic structure has been clarified by an unrestricted Hartree-Fock calculation using a generalized Hubbard model, demonstrating that this approach is useful for large quantum systems such as organic high-spin hydrocarbons. The mechanism of the intramolecular spin alignment in this molecule has been discussed with the help of the theoretical calculation. The most probable molecular conformation of this high-spin molecule in benzophenone host crystals has been derived from the observed fine-structure tenser as compared with those calculated semiempirically.

  DOI：

  10.1021/ja00104a033
• 作为产物：
  描述：

  2-(p-tolyl)but-3-en-2-ol 在 potassium permanganate 、 aluminum isopropoxide 作用下， 生成 联苯-3,4’-二羧酸
  参考文献：
  名称：

  Colonge,J.; Brunie,J.-C., Bulletin de la Societe Chimique de France, 1963, p. 42 - 46

  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。
• 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。
• [EN] PREPARATION AND USE OF BIPHENYLDICARBOXYLIC ACIDS<br/>[FR] PRÉPARATION ET UTILISATION D'ACIDES BIPHÉNYLDICARBOXYLIQUES
  申请人：EXXONMOBIL CHEMICAL PATENTS INC

  公开号：WO2019152085A1

  公开（公告）日：2019-08-08

  A process for selective oxidation of at least one dimethylbiphenyl compound to the corresponding biphenyldicarboxylic acid, where the dimethylbiphenyl compound is supplied to at least one reaction zone together with an acidic solvent, an oxidizing medium, and a catalyst comprising cobalt, manganese, and bromine. The dimethylbiphenyl compound and oxidizing medium are contacted with the catalyst in the at least one reaction zone at a temperature of 150 to 210°C to oxidize the dimethylbiphenyl compound to the corresponding biphenyldicarboxylic acid. The supply of dimethylbiphenyl compound to the at least one reaction zone is then terminated, but the supply of oxidizing medium and catalyst is continued with the at least one reaction zone at a temperature of 150 to 210°C. A reaction product comprising at least 95 wt% of the biphenyldicarboxylic acid based on the total weight of oxidized dimethylbiphenyl compound is then recovered from the at least one reaction zone.

  一种选择性氧化至少一种二甲基联苯化合物为相应的联苯二羧酸的过程，其中将二甲基联苯化合物与酸性溶剂、氧化介质和包括钴、锰和溴的催化剂一起供给至少一个反应区。将二甲基联苯化合物和氧化介质与催化剂在至少一个反应区中接触，在150至210°C的温度下将二甲基联苯化合物氧化为相应的联苯二羧酸。然后终止将二甲基联苯化合物供给至至少一个反应区，但在150至210°C的温度下继续将氧化介质和催化剂供给至至少一个反应区。然后从至少一个反应区中回收包含至少95重量％的联苯二羧酸的反应产物，基于氧化的二甲基联苯化合物的总重量。
• [EN] ACID, SOLVENT, AND THERMAL RESISTANT METAL-ORGANIC FRAMEWORKS<br/>[FR] OSSATURES ORGANOMETALLIQUES RESISTANTES AUX ACIDES, AUX SOLVANTS ET A LA CHALEUR
  申请人：UNIV CALIFORNIA

  公开号：WO2015127033A1

  公开（公告）日：2015-08-27

  The disclosure provides for thermal, solvent, and/or acid resistant metal organic frameworks and the use of these frameworks in devices and methods for gas separation, gas storage, and catalysis. The disclosure further provides for MOFs that are strong solid acids, and the use of these strong solid acid MOFs in catalytic devices and catalytic methods.

  该披露提供了耐热、耐溶剂和/或耐酸金属有机框架以及将这些框架用于气体分离、气体储存和催化的设备和方法。该披露进一步提供了强固体酸MOFs，并将这些强固体酸MOFs用于催化设备和催化方法。
• Metal‐Organic Framework (MOF) Morphology Control by Design
  作者：Kuthuru Suresh、Andre P. Kalenak、Ania Sotuyo、Adam J. Matzger

  DOI：10.1002/chem.202200334

  日期：2022.3.28

  A methodology for the controlled production of MOF morphologies through additive design is applied to synthesize new morphologies for a series of crystallographically cubic Zn4O-based MOFs. This approach broadly provides a model for the design and synthesis of morphologies with desired crystal facets that can be accessed based on an understanding and use of connections between additives and metal cluster

  应用通过增材设计控制 MOF 形貌生产的方法来合成一系列晶体立方 Zn 4 O 基 MOF 的新形貌。这种方法广泛地提供了一种模型，用于设计和合成具有所需晶面的形态，可以基于对添加剂和跨孔窗金属簇之间的连接的理解和使用来访问该模型。