브로모티몰 청색

Bromothymol Blue

HCID 6450CAS 76-59-5

기본 정보

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

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-2,1lambda6-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 BLUEDibromothymolsulfophthaleinDibromothymolsulfonphthaleinVGU4LM0H96DTXSID3058799NSC7819NSC-7819CHEBI:86155Thymol, 6,6'-(3H-2,1-benzoxathiol-3-ylidene)bis(2-bromo-, S,S-dioxideBlue, Bromthymol
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
Blue, BromothymolThymol, 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

데이터베이스 식별자

CAS
76-59-5
PubChem CID
6450
DTXSID
DTXSID3058799
ChEMBL
CHEMBL3392578
ChEBI
CHEBI:86155
UNII
VGU4LM0H96
EC Number
200-971-2
Nikkaji
J3.794.492K

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

실험 및 물리화학적 성질

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

화학적 성질

Pale purple crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 6건

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];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.

유해성 정보

Regulatory Information · 2건

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%);Skin Irrit. 2 (11.1%);Eye Irrit. 2 (11.1%)

안전 및 보호

Protective Action Criteria (PAC) · 3건

12 [mg/m3]

130 [mg/m3]

790 [mg/m3]

규제 정보

Regulatory Information · 2건

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

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 · 2건

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 · 3건

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.

제조 방법 · 1건

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.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

추가 설명

정의ChEBI: 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.

관련 반응

2건

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