Cupric benzoate | 533-01-7

• 物质功能分类: 有机原料 - 有机金属盐
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Cupric benzoate
• 英文别名: copper;dibenzoate
• CAS: 533-01-7
• 化学式: C₁₄H₁₀CuO₄
• 分子量: 305.777
• InChiKey: YEOCHZFPBYUXMC-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  19
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  80.3
• 氢给体数：
  0
• 氢受体数：
  4

ADMET

代谢

铜主要通过胃肠道吸收，但也可以通过吸入和皮肤吸收。它通过基底外侧膜，可能是通过调节铜转运蛋白，并与血清白蛋白结合被运输到肝脏和肾脏。肝脏是铜稳态的关键器官。在肝脏和其他组织中，铜以与金属硫蛋白、氨基酸结合以及与依赖铜的酶相关联的形式储存，然后分配通过胆汁排出或并入细胞内和细胞外蛋白中。铜通过血浆中与血清白蛋白、铜蓝蛋白或低分子量复合物结合被运输到外周组织。铜可能诱导金属硫蛋白和铜蓝蛋白的产生。膜结合的铜转运腺苷三磷酸酶（Cu-ATPase）将铜离子输送到细胞内和细胞外。体内生理正常水平的铜通过改变铜的吸收速率和数量、分布区域以及排泄来保持恒定。(L277, L279)

Copper is mainly absorbed through the gastrointestinal tract, but it can also be inhalated and absorbed dermally. It passes through the basolateral membrane, possibly via regulatory copper transporters, and is transported to the liver and kidney bound to serum albumin. The liver is the critical organ for copper homoeostasis. In the liver and other tissues, copper is stored bound to metallothionein, amino acids, and in association with copper-dependent enzymes, then partitioned for excretion through the bile or incorporation into intra- and extracellular proteins. The transport of copper to the peripheral tissues is accomplished through the plasma attached to serum albumin, ceruloplasmin or low-molecular-weight complexes. Copper may induce the production of metallothionein and ceruloplasmin. The membrane-bound copper transporting adenosine triphosphatase (Cu-ATPase) transports copper ions into and out of cells. Physiologically normal levels of copper in the body are held constant by alterations in the rate and amount of copper absorption, compartmental distribution, and excretion. (L277, L279)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 毒性总结

过量的铜被储存在肝细胞溶酶体中，在那里它与金属硫蛋白结合。当溶酶体饱和，铜在细胞核中积累，导致核损伤时，铜的肝毒性被认为会发生。这种损伤可能是由于氧化损伤，包括脂质过氧化。铜抑制了诸如葡萄糖-6-磷酸1-脱氢酶、谷胱甘肽还原酶和对氧磷酶等含有巯基团的酶，这些酶保护细胞免受自由氧自由基的侵害。它还影响基因表达，并且是诸如细胞色素C氧化酶和赖氨氧化酶等氧化酶的辅因子。此外，由铜引起的氧化应激被认为会激活酸性鞘磷脂酶，导致神经酰胺的产生，这是一种凋亡信号，同时也会引起溶血性贫血。铜诱导的呕吐是由于迷走神经的刺激所致。

Excess copper is sequestered within hepatocyte lysosomes, where it is complexed with metallothionein. Copper hepatotoxicity is believed to occur when the lysosomes become saturated and copper accumulates in the nucleus, causing nuclear damage. This damage is possibly a result of oxidative damage, including lipid peroxidation. Copper inhibits the sulfhydryl group enzymes such as glucose-6-phosphate 1-dehydrogenase, glutathione reductase, and paraoxonases, which protect the cell from free oxygen radicals. It also influences gene expression and is a co-factor for oxidative enzymes such as cytochrome C oxidase and lysyl oxidase. In addition, the oxidative stress induced by copper is thought to activate acid sphingomyelinase, which lead to the production of ceramide, an apoptotic signal, as well as cause hemolytic anemia. Copper-induced emesis results from stimulation of the vagus nerve. (L277, T49, A174, L280)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 致癌物分类

对人类无致癌性（未列入国际癌症研究机构IARC清单）。

No indication of carcinogenicity to humans (not listed by IARC).

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 健康影响

人们每天必须吸收少量铜，因为铜对健康至关重要。然而，高水平的铜可能有害。极高的铜剂量可能对肝脏和肾脏造成损害，甚至可能导致死亡。铜可能在敏感人群中引发过敏反应。

People must absorb small amounts of copper every day because copper is essential for good health, however, high levels of copper can be harmful. Very-high doses of copper can cause damage to your liver and kidneys, and can even cause death. Copper may induce allergic responses in sensitive individuals. (L278, L279)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 暴露途径

口服（L277）；吸入（L277）；皮肤给药（L277）

Oral (L277) ; inhalation (L277) ; dermal (L277)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 症状

呼吸高浓度的铜可以导致鼻子和喉咙的刺激。摄入高浓度的铜可以引起恶心、呕吐、腹泻、头痛、眩晕和呼吸困难。

Breathing high levels of copper can cause irritation of the nose and throat. Ingesting high levels of copper can cause nausea, vomiting, diarrhea, headache, dizziness, and respiratory difficulty. (L278, L279)

来源:Toxin and Toxin Target Database (T3DB)

SDS

Name:	Benzoic acid copper(II) salt 96% (uv-vis) Material Safety Data Sheet
Synonym:	None
CAS:	533-01-7

Section 1 - Chemical Product MSDS Name:Benzoic acid copper(II) salt 96% (uv-vis) Material Safety Data Sheet
Synonym:None

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
533-01-7	Benzoic acid copper (2+) salt	96.0	208-552-6

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 533-01-7: United Kingdom, WEL - TWA: (listed as copper): 0.2 mg/m3 TWA (fum 1 mg/m3 TWA (dust and mist) United Kingdom, WEL - STEL: (listed as copper): 0.6 mg/m3 STEL (fume); 2 mg/m3 STEL (dust and mist) United States OSHA: 0.1 mg/m3 TWA (fume); 1 mg/m3 TWA (dusts and mists) (listed under Copper).
Belgium - TWA: (listed as copper): 0.2 mg/m3 VLE (fume); 1 mg/m3 (dust and mist) France - VME: (listed as copper): 0.2 mg/m3 VME (fume); 1 mg/m3 V (dust, as Cu) France - VLE: (listed as copper): 2 mg/m3 VLE (dust, as Cu) Germany: (listed as copper): 0.2 mg/m3 VME (fume); 1 mg/m3 VME (d as Cu) Malaysia: (listed as copper): 0.2 mg/m3 TWA (fume, as Cu); 1 mg/m TWA (dust and mist, as Cu) Netherlands: (listed as copper): 0.2 mg/m3 MAC (smoke); 1 mg/m3 M (dust) Russia: (listed as copper): 1 mg/m3 TWA (dust) Russia: (listed as copper): 0.5 mg/m3 STEL (dust) Spain: (listed as copper): 0.2 mg/m3 VLA-ED (fume); 1 mg/m3 VLA-E (dust and mist, as Cu) Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use. Wear a NIOSH/MSHA or European Standard EN 149 approved full-facepiece airline respirator in the positive pressure mode with emergency escape provisions.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: Not available.
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C14H10CuO4
Molecular Weight: 305.77

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases.
Hazardous Polymerization: Has not been reported.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 533-01-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Benzoic acid copper (2+) salt - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION
Other No information available.

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 533-01-7: No information available.
Canada
CAS# 533-01-7 is listed on Canada's NDSL List.
CAS# 533-01-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 533-01-7 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  Cupric benzoate 、 N,N-二甲基甲酰胺 在 叔丁基过氧化氢 作用下， 以 水 为溶剂， 以25%的产率得到N,N-二甲基苯甲酰胺
  参考文献：
  名称：

  铜催化的羧酸的交叉偶联反应：酰胺，5-取代的γ-内酰胺和α-酰氧基酯的便捷途径†

  摘要：

  描述了使用CuO纳米颗粒和TBHP从羧酸合成N，N-二甲基取代的酰胺，5-取代的γ-内酰胺和α-酰氧基醚的方便且可回收的催化方案。

  DOI：

  10.1039/c3ra41000e
• 作为试剂：
  描述：

  、 二苯基碘鎓六氟砷酸盐 、 二苯硫醚 在 Cupric benzoate 乙醚 作用下， 反应 3.0h， 以There was obtained a 97% yield of triphenylsulfonium hexafluoroarsenate的产率得到三苯基六氟砷酸锍
  参考文献：
  名称：

  Photoinitiators

  摘要：

  IVa族元素的Onium盐具有MF6-阴离子，其中M选自P、As和Sb，在紫外光下发现具有光活性。当与各种有机树脂和环状有机化合物一起使用时，这些Onium盐可以用作阳离子光引发剂。

  公开号：

  US04417061A1

文献信息

• Method for production of halogen-containing phthalocyanine compound
  申请人：Hirota Kouichi

  公开号：US20050203293A1

  公开（公告）日：2005-09-15

  This invention relates to a method for for the production of a halogen-containing phthalocyaline compound by the cyclization of phthalonitrile compounds either singly or in combination with a metal compound, characterized in effecting the cyclization in an organic compound having a hydroxyl group and/or a carboxylic acid in an amount in the range of 0.01-10 mass parts per one mass part of the phthalonitrile compounds while continuing the introduction of an inert gas. This method, by using a solvent capable of serving as a specific oxygen source destined to participate in the reaction of complexing a metal compound introduced into a phthalocyanine dye, permits the production of a phthalocyanine compound inexpensively in a high yield.

  这项发明涉及一种通过在具有羟基和/或羧酸的有机化合物中以每一部分邻苯二腈化合物0.01-10质量部的量的情况下，通过将邻苯二腈化合物单独或与金属化合物组合进行环化来生产含卤素的酞菁化合物的方法，其特征在于在继续引入惰性气体的同时进行环化。通过使用能够作为特定氧源的溶剂来参与将引入到酞菁染料中的金属化合物络合反应的方法，可以以高产率廉价地生产酞菁化合物。
• SALT, ACID GENERATOR, RESIN, RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20160334702A1

  公开（公告）日：2016-11-17

  A salt represented by formula (I): wherein Q 1 and Q 2 independently represent a fluorine atom or a C 1 to C 6 perfluoroalkyl group, R 1 and R 2 in each occurrence independently represent a hydrogen atom, a fluorine atom or a C 1 to C 6 perfluoroalkyl group, z represents an integer of 0 to 6, X 1 represents *—CO—O—, *—O—CO— or —O—, * represents a binding position to C(R 1 )(R 2 ) or C(Q 1 )(Q 2 ), A 1 represents a C 4 to C 24 hydrocarbon group having a C 4 to C 18 divalent alicyclic hydrocarbon moiety, A 2 represents a C 2 to C 12 divalent hydrocarbon group, R 3 and R 4 independently represent a hydrogen atom or a C 1 to C 6 monovalent saturated hydrocarbon group, R 5 represents a hydrogen atom, a fluorine atom, or a C 1 to C 6 alkyl group where a hydrogen atom may be replaced by a fluorine atom, and Z + represents an organic cation.

  公式(I)表示的盐，其中Q1和Q2独立地代表一个氟原子或一个C1至C6的过氟烷基团，R1和R2每次出现独立地代表一个氢原子、一个氟原子或一个C1至C6的过氟烷基团，z代表0到6的整数，X1代表*—CO—O—，*—O—CO—或—O—，*代表与C(R1)(R2)或C(Q1)(Q2)的连接位置，A1代表具有C4至C18二价脂环烃基团的C4至C24的烃基团，A2代表C2至C12的二价烃基团，R3和R4独立地代表一个氢原子或一个C1至C6的一价饱和烃基团，R5代表一个氢原子、一个氟原子或一个C1至C6的烷基团，其中氢原子可以被氟原子替换，而Z+代表一个有机阳离子。
• SALT, ACID GENERATOR, PHOTORESIST COMPOSITION, AND METHOD FOR PRODUCING PHOTORESIST PATTERN
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20160200702A1

  公开（公告）日：2016-07-14

  A salt represented by the formula (I): wherein R 1 represents a C1 to C12 alkyl group in which a methylene group can be replaced by an oxygen atom or a carbonyl group; Q 1 and Q 2 each independently represent a fluorine atom or a C1 to C6 perfluoroalkyl group; A 1 represents a lactone ring-containing group which has 4 to 24 carbon atoms; R 2 represents an acid-labile group; and “m” represents an integer of 0 to 3.

  由公式(I)表示的盐： 其中 R1 代表一个C1至C12的烷基，其中一个亚甲基基团可以被一个氧原子或一个羰基团所取代； Q1 和 Q2 各自独立地代表一个氟原子或一个C1至C6的全氟烷基团； A1 代表一个含有内酯环的基团，该基团有4到24个碳原子； R2 代表一个酸不稳定的基团；并且 “m”代表一个0到3之间的整数。
• COMPOUND, RESIN, RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20160130210A1

  公开（公告）日：2016-05-12

  A compound represented by formula (I), a resin including a structural unit derived from the compound and a resist composition including the resin: wherein R 1 represents a hydrogen atom, a halogen atom or a C 1 to C 6 alkyl group in which a hydrogen atom may be replaced by a halogen atom, R 2 represents a C 1 to C 6 perfluoroalkyl group or *—CHR f1 R f2 , * represents a binding site to a carbonyl group, R f1 and R f2 each independently represent a C 1 to C 4 perfluoroalkyl group or R f1 and R f2 may be bonded together with a carbon atom bonded thereto to form a ring, A 1 represents a single bond, a C 1 to C 6 alkanediyl group or **-A 3 -X 1 -(A 4 -X 2 ) a -(A 5 ) b -, ** represents a binding site to an oxygen atom, A 2 , A 3 , A 4 and A 5 each independently represent a C 1 to C 6 alkanediyl group, X 1 and X 2 each independently represent —O—, —CO—O— or —O—CO—, a and b each represent 0 or 1, and W 1 represents a C 5 to C 18 divalent alicyclic hydrocarbon group.

  化合物的化学式为（I），包括从该化合物衍生的结构单元的树脂和包括该树脂的抗蚀组合物： 其中R 1 代表氢原子、卤素原子或C 1 到C 6 烷基基团，其中氢原子可以被卤素原子取代，R 2 代表C 1 到C 6 全氟烷基基团或*—CHR f1 R f2 ，*代表与羰基结合位点，R f1 和R f2 各自独立代表C 1 到C 4 全氟烷基基团或R f1 和R f2 可以与结合在一起的碳原子形成环，A 1 代表单键，C 1 到C 6 烷二基基团或**-A 3 -X 1 -(A 4 -X 2 ) a -(A 5 ) b -，**代表与氧原子结合位点，A 2 、A 3 、A 4 和A 5 各自独立代表C 1 到C 6 烷二基基团，X 1 和X 2 各自独立代表—O—、—CO—O—或—O—CO—，a和b各自代表0或1，W 1 代表C 5 到C 18 的二价脂环烃基团。
• Method for Producing Alpha-Azidoaniline Derivative or Alpha,AlphaPrime-Diazide Derivative
  申请人：Tokuyama Corporation

  公开号：US20210246108A1

  公开（公告）日：2021-08-12

  Provided is a method for producing an α-azidoaniline derivative or an α,α′-diazide derivative using an aniline derivative as a starting material that includes a method for producing an α-azidoaniline derivative or an α,α′-diazide derivative represented by Formula (2), including the step of: contacting an aniline derivative represented by Formula (1) with an azidating agent in presence of water, a persulfate, and a copper compound.

  提供了一种使用苯胺衍生物作为起始材料生产α-叠氮苯胺衍生物或α,α′-二叠氮衍生物的方法，包括一种生产由公式(2)表示的α-叠氮苯胺衍生物或α,α′-二叠氮衍生物的方法，包括以下步骤：在水的存在下，将表示为公式(1)的苯胺衍生物与叠氮化剂、过硫酸盐和铜化合物接触。

表征谱图