フェニルアルソン酸
フェニルアルソン酸 · フェニルジヒドロキシアルシンオキシド · ベンゼンアルゾン酸 · ベンゼンアルソンサン · ベンゼンアルソン酸 · モノフェニルアルソン酸 · フェニルアルソン酸, 98% · NSC 15566
識別子と物理属性
| CAS No. | 98-05-5 |
|---|---|
| 分子式 | C6H7AsO3 |
| 平均分子量 | 202.04 g/mol |
| 単同位体質量 | 201.96111558 g/mol |
| SMILES | O=[As](O)(O)c1ccccc1 |
| InChIKey | LVKZSFMYNWRPJX-UHFFFAOYSA-N |
| PubChem CID | 7365 |
| ChEMBL | CHEMBL364571 |
| ChEBI | CHEBI:29851 |
| EC No. | 202-631-9 |
| DTXSID | DTXSID6059158 |
| 現地名 | フェニルアルソン酸 |
化学・物理的性質
| 極性表面積 | 57.5 |
|---|---|
| 水素結合供与体数 | 2 |
| 水素結合受容体数 | 3 |
| 回転可能結合数 | 1 |
| 重原子数 | 10 |
| 形式電荷 | 0 |
| 複雑度 | 145 |
| 物質分類 | Metals -> Arsenic Compounds, Organic |
| LogP（分配係数） | log Kow= 0.060.03 (calculated) (calculated) |
| 密度 | 1.76 (EPA, 1998) - Denser than waterwill sink1.760 at 25 °CRelative density (water = 1): 1.761.76 @25 °C1,76 g/cm3 |
| Color/Form | Crystal powder |
| 溶解度 | Sol in 40 parts water, 50 parts alcoholinsol in chloroformSolubility in water: poor水で 3.2%、エタノールで 15.5%。31.6g/L(28℃) |
| Decomposition | When heated to decomposition it emits toxic fumes of /arsenic/.160 °C |
| 融点 | 320 °F decomposes (EPA, 1998)158 °C (with decomp)160 °C |
| 蒸気圧 | 0.00000111 [mmHg] |
| Physical Description | Benzenearsonic acid is a colorless solid. Used as an analytical reagent for tin. (EPA, 1998)Colorless solid with various formsPoor solubility in water[ICSC] White powder, soluble in water[MSDSonline]COLOURLESS SOLID IN VARIOUS FORMS. |
| Dissociation Constants | pKa= 8.48 in water at 25 °C |
| 沸点 | 66 °C(Press: 1 Torr) |
| pKa（酸解離定数） | pK2: 8.48(+1) (22°C) |
| 外観・状態 | 粉 |
| 色 | 白い |
| 比重 | 1.76 |
| Merck | 14,1067 |
| CAS データベース | 98-05-5(CAS DataBase Reference) |
| EPAの化学物質情報 | Benzenearsonic acid (98-05-5) |
化学的特性
white to slightly yellow crystalline powder
安全性と法規制
| GHS 分類 | DangerH301 (97.8%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P270, P271, P273, P301+P316, P304+P340, P316, P321, P330, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H301: Toxic if swallowed [Danger Acute toxicity, oral] |
|---|---|
| 規制情報 | Chemical: Arsonic acid, phenyl-Restricted substance: Phenylarsonic acidPhenylarsonic acid: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| その他の安全情報 | IMAP assessments - Organoarsenic compounds: Human health tier II assessment |
| 輸送ラベル（DOT） | Poison |
| 火災危険 | Benzenearsonic acid emits poisonous fumes of arsenic when heated to decomposition. (EPA, 1998)Not combustible. Gives off irritating or toxic fumes (or gases) in a fire. |
| 健康有害性 | Benzenearsonic acid is a deadly poison. (Non-Specific -- Arsenic Compounds) Chronic exposure to arsenic compounds can cause dermatitis and digestive disorders. Renal damage may develop. (EPA, 1998) |
| 有害性の概要 | Can cause arsenic poisoning[ICSC] Almost nothing is known regarding health effects of organic arsenic compounds in humans. Studies in animals show that some simple organic arsenic compounds are less toxic than inorganic forms. Ingestion of methyl and dimethyl compounds can cause diarrhea and damage to the kidneys. [ATSDR ToxProfiles] Toxic by ingestion[Sax] Oral LDLo (rat) = 50 mg/kg[RTECS] A skin, eye, and mucous membrane irritant[MSDSonline] See Arsanilic acid. |
| 反応性グループ | Acids, Weak |
| EC 分類 | Symbol: T, NR: 23/25-50/53S: (1/2)-20/21-28-45-60-61Note: A |
用途
解説
benzenearsonic acid．C6H7AsO3(202.04)．フェニルアルソン酸, 塩化ベンゼンジアゾニウムと三塩化ヒ素とから得られるテトラクロロ(フェニル)アルソランを加水分解すると合成される．無色の柱状晶．分解点158 ℃．pKa1 3.47，pKa2 8.48(水)．水，エタノールに可溶，エーテルに不溶．亜鉛アマルガムと酸により還元されてフェニルアルシンになる．チタン，ジルコニウムなどの金属イオンと錯体を形成するので，分析用試薬として用いられる．森北出版「化学辞典（第2版）
用途
Zr, Sn, Th, Nb, Ta, Biの分析試薬、有機合成原料。
使用
Arsonic acids (arsonic acid, phenylarsonic acid, p-hydroxyphenylarsonic acid, arsanilic acid) react with the tetravalent metals of group IV of the periodic system to give water-insoluble complexes of composition MA2 . The composition of the precipitates is not exactly stoichiometric, and hence the precipitates are not suitable for direct gravimetric analysis. Instead, the precipitates are transformed by ignition to the corresponding metal oxides and weighed as such. The main advantage of the application of these reagents is the possibility offered of the selective determination of zirconium(IV), hafnium(IV) and titanium(IV) in the presence of many other metals, such as zinc, manganese, nickel, cobalt, aluminium, copper, calcium, magnesium and chromium. In practice they are utilized most frequently for the determination of zirconium. In strong mineral acidic media phenylarsonic acid forms water-insoluble precipitates with zirconium and hafnium only. In highly concentrated acetic acid solution the thorium phenylarsonate complex is also precipitated, which makes possible the separation of thorium from rare earth metals. The procedure gives satisfactory results in the presence of alkaline earth metals, iron, aluminium, manganese, cobalt, nickel, copper, zinc and bismuth.
一般的な説明
Colorless solid. Used as an analytical reagent for tin.
製法・合成法
純化方法
Crystallise it from H2O (3mL/g) between 90o and 0o. Alternatively dissolve 600g of the acid in 500mL of boiling H2O, add 20g of Norite, filter hot, cool, filter off the crystals and dry them. On heating at ~154-160o it is converted to the anhydride. [Bullard & Dickery Org Synth Coll Vol II 494 1943, for the 4-nitro derivative see Ruddy & Starkey Org Synth Coll Vol III 665 1955, Beilstein 16 H 868, 16 I 448, 16 II 457, 16 III 1057, 16 IV 1183.]