二安息香酸銅(II)

Cupric benzoate

HCID 164650

基本情報

CAS
533-01-7
標準SMILES
O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Cu+2]
InChIKey
YEOCHZFPBYUXMC-UHFFFAOYSA-L
分子式
C14H10CuO4
平均分子量
305.77 g/mol
単同位体質量
304.987506

名称と識別子

優先名称
Cupric benzoate
IUPAC
copper dibenzoate
現地名
二安息香酸銅(II)
英語名
Copper benzoate
分子式
C14H10CuO4
分子量
305.77

名称と別名

Cupric benzoateCopper benzoateCopper(II) benzoate533-01-7Copper dibenzoateBenzoic acid, copper(2+) saltCopper benzoate Cu(OBz)21M9U62M4WKBenzoic acid, copper(2+) salt (2:1)EINECS 208-552-6NSC 112215DTXSID20890501
名称をさらに表示
二安息香酸銅(II)安息香酸銅(II)(無水)安息香酸銅(Ⅱ)安息香酸銅(II)(無水)(安息香酸第二銅)cupric dibenzoateCOPPER (II) BENZOATECopper Benzoate PowderCupric benzoate monohydratebenzoicacid,copper(2++)saltBENZOIC ACID COPPER (II) SALTDibenzoic acid copper(II) salt
NSC-112215copper benzoic acidRefChem:580028copper(2+) ion dibenzoateDTXCID401030438208-552-6copper;dibenzoateCupricbenzoate

データベース識別子

CAS
533-01-7
PubChem CID
164650
DTXSID
DTXSID20890501
UNII
1M9U62M4WK
EC Number
208-552-6
Nikkaji
J43.321G

物性

構造計算による物性

極性表面積
80.3 Ų
水素結合供与体数
0
水素結合受容体数
4
回転可能結合数
0
重原子数
19

物理化学的性質

EPAの化学物質情報
Benzoic acid, copper(2+) salt (533-01-7)

化学的性質

化学的特性Blue, crystalline powder; odorless.Slightly soluble in cold water, acids, and alcohol.

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P270, P271, P301+P317, P304+P340, P319, P330, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%);STOT SE 3 (100%)

安全と保護具

Minimum Risk LevelAcute Oral: 0.01 mg/kg/day (L134) Intermediate Oral: 0.01 mg/kg/day (L134)

毒性情報

Health Effects · 1 件

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)

Exposure RoutesOral (L277) ; inhalation (L277) ; dermal (L277)
Toxicity Summary · 1 件

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)

Signs and SymptomsBreathing 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)
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

安全データ

tsca
TSCA listed
安衛法
57,57-2

化学と産業

薬理情報

Metabolism/Metabolites · 1 件

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)

用途と製造

UsesCopper benzoate is used as a source of blue light in fireworks. (L284)
General Manufacturing InformationBenzoic acid, copper(2+) salt (2:1): INACTIVE
応用分野 · 2 件

説明Copper benzoate is the chemical compound with the formula Cu(C6H5CO2)2. This coordination complex is derived from the cupric ion and the conjugate base of benzoic acid. Because copper emits blue in a flame, this salt has found some use as a source of blue light in fireworks.

使用Cupric benzoate monohydrate (cas# 533-01-7) is used as a catalyst in the preparation of positive resist compositions comprising sulfonium compounds as acid diffusion inhibitors for high resolution and minimal line edge roughness.

調製方法 · 2 件

製造方法In laboratory, copper benzoate can be made by combining aqueous solutions of potassium benzoate with copper sulfate. Copper benzoate precipitates as a pale blue solid : 2 C6H5COOK + CuSO4 →Cu(C6H5COO)2 + K2SO4 The primary use of this of this compound is in production of blue flame in fireworks. Copper benzoate made from sodium benzoate for use in fireworks may result in strong yellow dilution of the flame unless the precipitate is carefully washed to remove sodium ion (which emits brightly yello). Emission from potassium does not complicate the emission spectrum.

純化方法Recrystallise it from hot water. Its solubility in EtOH/*C6H6 (90%) at 25o is 0.1%. [Crawford & Stewart J Chem Soc 228, 289 1953, Beilstein 9 H 84, 9 I 60, 9 III 376, 9 IV 280.]

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関連反応

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化合物ノート

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