브로모티몰 청색
3,3-디브롬티몰술폰프탈레인 · 브로모티몰BLUE · 브로모티몰청색 · 브로모티몰블루 · 브롬티몰블루용액 · 브로모티몰블루0.1% · 브롬티몰블루 · 3',3'-디브롬티몰술폰프탈레인
식별자 및 물리적 특성
| CAS No. | 76-59-5 |
|---|---|
| 분자식 | C27H28Br2O5S |
| 평균 분자량 | 624.4 g/mol |
| 단동위원소 질량 | 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 |
| 현지명 | 브로모티몰 청색 |
화학 및 물리적 성질
| XLogP | 7.6 |
|---|---|
| 극성 표면적 | 92.2 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 5 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 35 |
| 형식 전하 | 0 |
| 복잡도 | 818 |
| Physical Description | Odorless white to cream-colored solidAvailable as pure compound, monosodium salt, and dilute solutions[CHEMINFO] |
| 녹는점 | 200-202 °C (lit.) |
| 밀도 | 1.4668 (estimate) |
| 인화점 | 38 °C |
| 저장 조건 | Store at +5°C to +30°C. |
| 용해도 | 용해도 물, 벤젠에 거의 용해되지 않음에탄올, 에테르에 용해됨석유 에테르에 불용성 |
| 물리적 상태 | 고체 |
| 끓는 점 | 614.3±55.0 °C(Predicted) |
| pKa(산도 계수) | 7.0, 7.1(at 25℃) |
| 색상 | 분홍색 갈색에서 보라색까지 |
| 냄새 | 특유의 냄새 |
| pH | pH : 6.0~7.6 |
| 용해도 | 약간 용해됨 |
| Merck | 14,1445 |
| BRN | 373934 |
| 안정성 | 안정적인. 강한 산화제와 호환되지 않습니다. |
| 주요 응용 | 졸-겔 매트릭스, 연료 전지, 광학 센서, 연소 가스 감지 시스템, 페인트, 장난감, 세척제, 세제, 섬유, 식품 신선도 센서, 신선한 쌀과 묵은 쌀, 밀 식별, 미생물 검출, 세균 증식, 향정신성 약물, 치과 재료 |
| 화장품 원료 기능 | 색소 |
| 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(분배 계수) | 8.600 (est) |
| EPA | Bromothymol blue (76-59-5) |
화학적 성질
Pale purple crystalline powder
안전 및 규제
| GHS 분류 | 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. |
|---|---|
| 규제 정보 | 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 |
| 유해성 요약 | 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] |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | SJ450000 |
| 운송 번호(UN) | 1170 |
| 관세 코드 | 29349990 |
| 위험 문구(R) | 10-41-36/37/38-20/21/22 |
| 위험 표시 | Xn |
| 안전 문구(S) | 24/25-39-26-36 |
| 포장분류 | III |
| 위험 등급 | 3 |
| 기존화학 물질 | KE-02744 |
| 저장 분류 | 11 - Combustible Solids |
용도
개요
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.
용도
Bromothymol blue is a chemical indicator for weak acids and bases.
일반 설명
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.
제조 및 합성 방법
제조 방법
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.