브로모티몰 청색
Bromothymol Blue
기본 정보
- CAS
76-59-5- 표준 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- 분자식
- C27H28Br2O5S
- 평균 분자량
- 624.4 g/mol
- 단동위원소 질량
- 622.00242
개요
Bromothymol blue is a member of the class of 2,1-benzoxathioles that is 2,1-benzoxathiole 1,1-dioxide in which both of the hydrogens at position 3 have been substituted by 3-bromo-4-hydroxy-5-isopropyl-2-methylphenyl groups. It has a role as a dye, an acid-base indicator and a two-colour indicator. It is a polyphenol, an organobromine compound, a 2,1-benzoxathiole, a sultone and an arenesulfonate ester.
이름 및 식별자
- 우선 이름
- Bromothymol Blue
- IUPAC
- 2-bromo-4-[3-(3-bromo-4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-3-methyl-6-propan-2-ylphenol
- 현지명
- 브로모티몰 청색
- 영어명
- Bromothymol Blue
- 분자식
- C27H28Br2O5S
- 분자량
- 624.38
이름 및 동의어
Bromothymol blue76-59-5BROMTHYMOL BLUEDibromothymolsulfophthaleinBlue, BromthymolBlue, BromothymolDibromothymolsulfonphthaleinVGU4LM0H96DTXSID3058799NSC7819NSC-7819Thymol, 6,6'-(3H-2,1-benzoxathiol-3-ylidene)bis(2-bromo-, S,S-dioxide
이름 더 보기
3,3-디브롬티몰술폰프탈레인브로모티몰BLUE브로모티몰청색브로모티몰블루브롬티몰블루용액브로모티몰블루0.1%브롬티몰블루3',3'-디브롬티몰술폰프탈레인4,4'(3H-2,1-벤족사티올-3-일브로모티몰청색BTBBLBROMOTHYMOL BLUE SOLUTION3',3''-DIBROMOTHYMOLSULFONPHTHALEINNsc 7819BETZ 0417NSC 42609ol)s,s-dioxideBromothmol blue
CHEBI:86155Thymol, 6,6'-(3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-, S,S-dioxideRefChem:121663DTXCID9047831Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(2-bromo-3-methyl-6-(1-methylethyl))-, S,S-dioxide200-971-24,4'-(3H-2,1-Benzoxathiol-3-ylidene)bis(2-bromo-3-methyl-6-(1-met-hylethyl)phenol) S,S-dioxide3,3'-Dibromothymolsulfonphthalein
물성
구조 계산 물성
- XLogP
- 7.6
- 극성 표면적
- 92.2 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 818
실험 및 물리화학적 성질
Chemical ClassesDyes -> Indicator Dyes
CosmeticsCosmetic colorant
LogP2.78
Physical DescriptionOdorless white to cream-colored solid; Available as pure compound, monosodium salt, and dilute solutions; [CHEMINFO]
물리화학적 성질
- 녹는점
- 200 · 200-202 °C (lit.)
- 밀도
- 1.4668 · 1.4668 (estimate)
- 인화점
- 38 °C · 38 °C
- 저장 조건
- 5 °C · Store at +5°C to +30°C.
- 용해도
- 용해도 물, 벤젠에 거의 용해되지 않음; 에탄올, 에테르에 용해됨; 석유 에테르에 불용성
- 물리적 상태
- 고체
- 끓는 점
- 614.3 · 614.3±55.0 °C(Predicted)
- 산도 계수 (pKa)
- 7 · 7.0, 7.1(at 25℃)
- 색상
- 분홍색 갈색에서 보라색까지
- 냄새
- 특유의 냄새
- 수소이온지수(pH)
- 6 · pH : 6.0~7.6
- 수용성
- 약간 용해됨
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 77.8% (7 of 9) of all reports.
Warning
H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]
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.
유해성 정보
Regulatory Information
Chemical: Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-3-methyl-6-(1-methylethyl)-, S,S-dioxide
Bromothymol blue: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryDust may be irritating if inhaled; [CHEMINFO]
Hazard Classes and CategoriesAcute Tox. 4 (11.1%)
안전 및 보호
Protective Action Criteria (PAC)
12 [mg/m3]
130 [mg/m3]
790 [mg/m3]
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- SJ450000
- ridadr
- 1170
- HS 번호
- 29349990
- risk_code
- 10-41-36/37/38-20/21/22
화학 및 산업
약리 정보
MeSH Pharmacological Classification
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)
Chemicals and substances that impart color including soluble dyes and insoluble pigments. They are used in INKS; PAINTS; and as INDICATORS AND REAGENTS.
용도 및 제조
UsesA sulfonphthalein dye used as a pH indicator; [CHEMINFO] Used as a pH indicator for the pH range of 5.8-7.6 and 10.2-11.8; [Ullmann]
Use ClassificationCosmetics -> Cosmetic colorant
General Manufacturing InformationPhenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-3-methyl-6-(1-methylethyl)-: ACTIVE
응용 분야
개요Bromothymol 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.
용도Bromothymol blue is a chemical indicator for weak acids and bases.
일반 설명Bromothymol 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.
관련 반응
2건
화합물 노트
불러오는 중…