プルプル酸

Murexide

HCID 18275

基本情報

CAS
3051-09-0
標準SMILES
O=C1NC(=O)C(=Nc2c([O-])[nH]c(=O)[nH]c2=O)C(=O)N1.[NH4+]
InChIKey
LJYRLGOJYKPILZ-UHFFFAOYSA-N
分子式
C8H5N5O6.H3N
平均分子量
284.19 g/mol
単同位体質量
284.05053198

概要

5,5'-Nitrilodibarbituric acid ammonium derivative. Used as an indicator for complexometric titrations.

名称と識別子

優先名称
Murexide
IUPAC
azanium 2,4-dioxo-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)amino]-1H-pyrimidin-6-olate
現地名
プルプル酸
英語名
Murexide
分子式
C8H8N6O6
分子量
284.19

名称と別名

Acid ammonium purpurateAmmonium salt purpuric acid4W6L62S876DTXSID40889371NSC-2152082,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(hexahydro-2,4,6-trioxo-5-pyrimidinyl)imino]-, monoammonium salt2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-((hexahydro-2,4,6-trioxo-5-pyrimidinyl)imino)-, monoammonium saltPurpurate, AmmoniumAmmonium Purpurate, AcidPurpurate, Acid AmmoniumRefChem:160112DTXCID801028633
名称をさらに表示
ムレキシドアンモニウムプルプラート5-[(ヘキサヒドロ-2,4,6-トリオキソピリミジン-5-イル)イミノ]-2,4,6(1H,3H,5H)-ピリミジントリオン·アンモニアプルプル酸アンモニウムプルプリン酸アンモニウム(ムレキシド)プルプリン酸アンモニウムムレキシド FOR COMPLEXOMETRYムレキシド(1水和物)プルプル酸5,5′-ニトリロジバルビツール酸アンモニウムAMMONIUM PERPURATEAmmonium puranateammonium 2,6-dioxo-5-[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-olateCI 56085S NO 1138Naples redMurexide99%CI NO 56085
221-266-63051-09-0Ammonium PurpurateMurexideUNII-4W6L62S876EINECS 221-266-6NSC 215208Ammonium 5-(2,4,6-trioxoperhydropyrimidin-5-ylideneamino)barbiturate

データベース識別子

CAS
3051-09-0
PubChem CID
18275
DTXSID
DTXSID40889371
UNII
4W6L62S876
EC Number
221-266-6

物性

構造計算による物性

極性表面積
170 Ų
水素結合供与体数
5
水素結合受容体数
7
回転可能結合数
1
重原子数
20

実験および物理化学的性質

Chemical ClassesDyes -> Indicator Dyes
Physical DescriptionPurple-red solid with a green metallic luster; [Merck Index] Dark red powder; [Sigma-Aldrich MSDS]

物理化学的性質

融点
300 °C · 300 °C
沸点
443.25 °C · 443.25°C (rough estimate)
比重(密度)
1.5756 · 1.5756 (rough estimate)
屈折率
1.8 · 1.8000 (estimate)
貯蔵温度
no restrictions.
溶解性
1 g/リットル · 1g/リットル

化学的性質

化学的特性Bordeaux powder

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 100% (7 of 7) of all reports.

Not Classified

Aggregated GHS information provided per 7 reports by companies from 1 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 2 件

Chemical: 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(hexahydro-2,4,6-trioxo-5-pyrimidinyl)imino]-, monoammonium salt

2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(hexahydro-2,4,6-trioxo-5-pyrimidinyl)imino]-, monoammonium salt: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesNot Classified

安全データ

wgk
3
tsca
TSCA listed
hs_code
29335995
risk_code
22-40
hazard_code
Xn
safety_code
24/25-22-36/37

化学と産業

薬理情報

MeSH Pharmacological Classification · 1 件

Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)

用途と製造

UsesUsed as an indicator (complexometric titrations); [Merck Index]
応用分野 · 2 件

解説プルプル酸,遊離状態としては知られていない.塩を酸性にすると,アロキサンとウラシルとに分解する.森北出版「化学辞典(第2版)

使用Murexide is used as a complexometric indicator in analytical chemistry for complexometric titrations of calcium, copper nickel and cobalt. It is an inhibitor of dihydrofolate reductase. Further, it acts as an enhancer of sonochemical destruction of chlorinated hydrocarbon pollutants.

調製方法 · 1 件

純化方法The sample may be grossly contaminated with uramil, alloxanthine, etc., and may be difficult to purify. It is better to synthesise it from pure alloxanthine [Davidson J Am Chem Soc 58 1821 1936]. Recrystallise it from water. [Kuhn & Lyman Chem Ber 69 1547 1936, Beilstein 25 I 709, 25 III/IV 4236.]

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関連反応

3 件

化合物ノート

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