Bromthymolblau

Bromothymol Blue

HCID 6450CAS 76-59-5

Grundinformationen

Standard-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
Summenformel
C27H28Br2O5S
Durchschnittliche Molmasse
624,4 g/mol
Monoisotopische Masse
622,00242

Namen und Bezeichner

Bevorzugter Name
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
Lokaler Name
Bromthymolblau
Englischer Name
Bromothymol Blue
Summenformel
C27H28Br2O5S
Molmasse
624.38

Namen und Synonyme

Bromothymol blue76-59-5BROMTHYMOL BLUEDibromothymolsulfophthaleinDibromothymolsulfonphthaleinVGU4LM0H96DTXSID3058799NSC7819NSC-7819CHEBI:86155Thymol, 6,6'-(3H-2,1-benzoxathiol-3-ylidene)bis(2-bromo-, S,S-dioxideBlue, Bromthymol
Weitere Namen anzeigen
BTBBLBROMOTHYMOL 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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
7,6
Polarare Oberfläche (TPSA)
92,2 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
5
Frei drehbare Bindungen
4
Schwere Atome
35

Experimentelle und physikochemische Eigenschaften

Physical DescriptionOdorless white to cream-colored solid; Available as pure compound, monosodium salt, and dilute solutions; [CHEMINFO]

Physikochemische Eigenschaften

Schmelzpunkt
200 · 200-202 °C (lit.)
Dichte
1.4668 · 1.4668 (estimate)
Flammpunkt
38 °C · 38 °C
storage temp.
5 °C · Store at +5°C to +30°C.
Löslichkeit
Solubility Sparingly soluble in water, benzene; soluble in ethanol, ether; insoluble in petroleum ether
Aggregatzustand
Solid

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

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.

Gefahrenhinweise

Regulatory Information · 2 Einträge

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%)

Sicherheit und Schutzausrüstung

Protective Action Criteria (PAC) · 3 Einträge

12 [mg/m3]

130 [mg/m3]

790 [mg/m3]

Regulatorische Informationen

Regulatory Information · 2 Einträge

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

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
1170
hs_code
29349990
RTECS-Nr.
SJ450000
risk_code
10-41-36/37/38-20/21/22

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 2 Einträge

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.

Verwendung und Herstellung

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
Anwendungen · 2 Einträge

BeschreibungBromothymol 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.

VerwendenBromothymol blue is a chemical indicator for weak acids and bases.

Darstellung · 1 Eintrag

synthetischeBromothymol 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.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

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]

Ergänzende Hinweise

DefinitionChEBI: 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.

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