ブロモチモール ブルーを
ブロモチモール ブルー · ブロモチモール ブルーを0.1%含む約50%含水エタノール溶液 · ブロモチモールブルー (0.04%水溶液) · ブロモチモールブルー · 4,4'-[(3H-2,1-ベンゾオキサチオール1,1-ジオキシド)-3-イリデン]ビス(2-ブロモ-6-イソプロピル-3-メチルフェノール) · 3,3'-ジブロモチモールスルホンフタレイン · 3,3-ビス(3-ブロモ-4-ヒドロキシ-5-イソプロピル-2-メチルフェニル)-3H-2,1-ベンゾオキサチオール1,1-ジオキシド · ブロムチモールブルー
識別子と物理属性
| CAS No. | 76-59-5 |
|---|---|
| 分子式 | C27H28Br2O5S |
| 平均分子量 | 624.4 g/mol |
| 単同位体質量 | 622.00242 g/mol |
| SMILES | Cc1c(C2(c3cc(C(C)C)c(O)c(Br)c3C)OS(=O)(=O)c3ccccc32)cc(C(C)C)c(O)c1Br |
| InChIKey | NUHCTOLBWMJMLX-UHFFFAOYSA-N |
| PubChem CID | 6450 |
| ChEMBL | CHEMBL3392578 |
| ChEBI | CHEBI:86155 |
| EC No. | 200-971-2 |
| DTXSID | DTXSID3058799 |
| 現地名 | ブロモチモール ブルーを |
化学・物理的性質
| XLogP | 7.6 |
|---|---|
| 極性表面積 | 92.2 |
| 水素結合供与体数 | 2 |
| 水素結合受容体数 | 5 |
| 回転可能結合数 | 4 |
| 重原子数 | 35 |
| 形式電荷 | 0 |
| 複雑度 | 818 |
| Physical Description | Odorless white to cream-colored solidAvailable as pure compound, monosodium salt, and dilute solutions[CHEMINFO] |
| 融点 | 200-202 °C (lit.) |
| 密度 | 1.4668 (estimate) |
| 引火点 | 38 °C |
| 貯蔵条件 | Store at +5°C to +30°C. |
| 溶解度 | 水とベンゼンにわずかに溶け、エタノールとエーテルに溶け、石油エーテルに溶けない。わずかに溶ける |
| 外観・状態 | 個体 |
| 沸点 | 614.3±55.0 °C(Predicted) |
| pKa（酸解離定数） | 7.0, 7.1(at 25℃) |
| 色 | ピンクブラウンからパープル |
| 臭い | 特有の臭い |
| pH | pH : 6.0~7.6 |
| Merck | 14,1445 |
| BRN | 373934 |
| 安定性 | 安定。強力な酸化剤とは相容れない。 |
| 主な用途 | ゾルゲルマトリックス、燃料電池、光センサー、燃焼ガス検知システム、塗料、玩具、洗浄剤、洗剤、繊維、食品鮮度センサー、新鮮な米と古くなった米の識別、小麦、微生物の検出、細菌の増殖、向精神薬、歯科材料 |
| 化粧品成分の機能 | 着色剤 |
| InChI | 1S/C27H28Br2O5S/c1-13(2)17-11-20(15(5)23(28)25(17)30)27(19-9-7-8-10-22(19)35(32,33)34-27)21-12-18(14(3)4)26(31)24(29)16(21)6/h7-14,30-31H,1-6H3 |
| InChIKey | NUHCTOLBWMJMLX-UHFFFAOYSA-N |
| SMILES | CC(C)c1cc(c(C)c(Br)c1O)C2(OS(=O)(=O)c3ccccc23)c4cc(C(C)C)c(O)c(Br)c4C |
| LogP（分配係数） | 8.600 (est) |
| CAS データベース | 76-59-5(CAS DataBase Reference) |
| EPAの化学物質情報 | Bromothymol blue (76-59-5) |
化学的特性
Pale purple crystalline powder
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 77.8% (7 of 9) of all reports.WarningH302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (11.1%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (11.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 9 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 7 of 9 reports by companies.There are 2 notifications provided by 2 of 9 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 規制情報 | Chemical: Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-3-methyl-6-(1-methylethyl)-, S,S-dioxideBromothymol blue: Does not have an individual approval but may be used under an appropriate group standard |
| 有害性の概要 | Dust may be irritating if inhaled[CHEMINFO] |
| Hazard Classes and Categories | Acute Tox. 4 (11.1%)Skin Irrit. 2 (11.1%)Eye Irrit. 2 (11.1%) |
| Protective Action Criteria (PAC) | 12 [mg/m3]130 [mg/m3]790 [mg/m3] |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | SJ450000 |
| 輸送番号（UN） | 1170 |
| 税関コード | 29349990 |
用途
用途
1. 酸塩基指示薬 2. 吸着指示薬
用途
pH測定用、中和滴定用指示薬(強塩基-強酸系)。
説明
Bromothymol blue is a pH indicator for weak acids and bases. In neutral solution, it appears bluish-green. At pH above 7.6 it appears blue, and at pH below 6.0 it appears yellow.Bromothymol blue (BTB) is an anionic dye. It can be protonated or deprotonated to generate yellow or blue. BTB helps to make ion-pair complex, that is used to identify several pharmaceutical compounds with the help of extractive spectrophotometric methods.
使用
Bromothymol blue is a chemical indicator for weak acids and bases.
一般的な説明
Bromothymol blue is a pH indicator which is sparingly soluble in water, benzene but is soluble in ethanol. It is insoluble in petroleum ether. It has its major uses in Sol-gel matrix, fuel cells, optical sensors, combustion gas detection system. It is considered as a toxic reagent.
製法・合成法
製造方法
Bromothymol blue is synthesized by adding elemental bromine to the thymol blue in a solution of glacial acetic acid.To prepare a solution that is used as a pH indicator, we should dissolve 0.10 g in an 8.0 cm3 N/50 NaOH and then dilute it with water to 250 cm3. To prepare a solution used as an indicator in volumetric work, we should dissolve 0.1 g in the 100 cm3 of 50% (v/v) ethanol.
純化方法
Dissolved the dye in aqueous 5% NaHCO3 solution and precipitate it from the hot solution by dropwise addition of aqueous HCl. Repeat this until the extinction at max 420nm does not increase. It is an indicator: aqueous solutions are yellow at pH 6.0, and blue at pH 7.6. [Beilstein 19/3 V 461.]