Bromthymolblau
BTB · BL · BROMOTHYMOL BLUE SOLUTION · 3',3''-DIBROMOTHYMOLSULFONPHTHALEIN · Nsc 7819 · BETZ 0417 · NSC 42609 · ol)s,s-dioxide
Identifikatoren & physikalische Daten
| CAS No. | 76-59-5 |
|---|---|
| Summenformel | C27H28Br2O5S |
| Durchschnittliche Molmasse | 624,4 g/mol |
| Monoisotopische Masse | 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 |
| Lokaler Name | Bromthymolblau |
Chemische & physikalische Eigenschaften
| XLogP | 7,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 92,2 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 35 |
| Formalladung | 0 |
| Komplexität | 818 |
| Physical Description | Odorless white to cream-colored solidAvailable as pure compound, monosodium salt, and dilute solutions[CHEMINFO] |
| Schmelzpunkt | 200-202 °C (lit.) |
| Dichte | 1.4668 (estimate) |
| Flammpunkt | 38 °C |
| Lagerbedingungen | Store at +5°C to +30°C. |
| Löslichkeit | Solubility Sparingly soluble in water, benzenesoluble in ethanol, etherinsoluble in petroleum etherslightly soluble |
| Aggregatzustand | Solid |
| Siedepunkt | 614.3±55.0 °C(Predicted) |
| pKa (Säurekonstante) | 7.0, 7.1(at 25℃) |
| Farbe | Pink-brown to purple |
| Geruch | Characteristic odour |
| pH | pH : 6.0~7.6 |
| Merck | 14,1445 |
| BRN | 373934 |
| Stabilität | Stable. Incompatible with strong oxidizing agents. |
| Hauptanwendungen | Sol-gel matrix, fuel cells, optical sensors, combustion gas detection system, paints, toys, cleaning products, detergents, textiles, food freshness sensor, identifying fresh and stale rice,wheat, detecting microorganisms, bacterial growth, psychoactive drug, dental materials |
| Kosmetik-Inhaltsstoffe Funktionen | COLORANT |
| 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 (Verteilungskoeffizient) | 8.600 (est) |
| CAS Datenbank | 76-59-5(CAS DataBase Reference) |
| EPA chemische Informationen | Bromothymol blue (76-59-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | 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. |
|---|---|
| Regulatorische Informationen | 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 |
| Gefahrenübersicht | 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] |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 1170 |
| Zollcode | 29349990 |
| RTECS-Nr. | SJ450000 |
| R-Sätze (R) | 10-41-36/37/38-20/21/22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 24/25-39-26-36 |
| Gefahrenklasse | 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
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.
Verwenden
Bromothymol blue is a chemical indicator for weak acids and bases.
Herstellung & Synthese
synthetische
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.