Bromkresolgrün
Bromocresol Green
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Grundinformationen
- CAS
76-60-8- Standard-SMILES
Cc1c(C2(c3cc(Br)c(O)c(Br)c3C)OS(=O)(=O)c3ccccc32)cc(Br)c(O)c1Br- InChIKey
FRPHFZCDPYBUAU-UHFFFAOYSA-N- Summenformel
- C21H14Br4O5S
- Durchschnittliche Molmasse
- 698 g/mol
- Monoisotopische Masse
- 693,72954295
Überblick
Bromocresolgreen is a member of benzofurans.
Namen und Bezeichner
- Bevorzugter Name
- Bromocresol Green
- IUPAC
- 2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxy-2-methylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-3-methylphenol
- Lokaler Name
- Bromkresolgrün
- Englischer Name
- Bromocresol green
- Summenformel
- C21H14Br4O5S
- Molmasse
- 698.01
Namen und Synonyme
Bromocresol green76-60-8BROMCRESOL GREENTetrabromo-m-cresolphthalein sulfone3',3'',5',5''-Tetrabromo-m-cresolsulfonephthaleinDTXSID90444598YGN0Y942MNSC-7817DTXCID7024459m-Cresol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(2,6-dibromo-, S,S-dioxidePhenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis(2,6-dibromo-3-methyl-Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(2,6-dibromo-3-methyl-, S,S-dioxide
Weitere Namen anzeigen
GreenBCGBROMOCRESOL BLUEBROMOCRESOL GREEN INDICATORBROMOCRESOL GREEN SULTONE FORMBACILLUS OF CALMETTE AND GUERINγ-Sultonevertdebromocresoltetrabromo-m-cresolphthaleinsulfone
Green, BromcresolPhenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-3-methyl-, S,S-dioxideGreen, BromocresolTetrabromocresolsulfonphthalein3,3-bis(3,5-dibromo-4-hydroxy-2-methylphenyl)-3H-2,1$l^(6)-benzoxathiole-1,1-dione3,3-bis(3,5-dibromo-4-hydroxy-2-methylphenyl)-3H-2,1$l^{6}-benzoxathiole-1,1-dionem-Cresol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-, S,S-dioxideRefChem:191
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 6,5
- Polarare Oberfläche (TPSA)
- 92,2 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 31
- Formalladung
- 0
- Komplexität
- 742
Experimentelle und physikochemische Eigenschaften
Chemical ClassesDyes -> Indicator Dyes
CosmeticsCosmetic colorant
Endocrine DisruptorsPotential endocrine disrupting compound
Melting Point218.5 °C
Physical DescriptionOdorless, light yellow purple solid; Available as pure compound, monosodium salt, and dilute solutions; [CHEMINFO]
Collision Cross Section217.0 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID9044459]
Physikochemische Eigenschaften
- Schmelzpunkt
- 225 °C · 225 °C (dec.) (lit.)
- Dichte
- 0.79 g/mL · 0.79 g/mL at 20 °C
- Flammpunkt
- 12 °C · 12 °C
- storage temp.
- no restrictions.
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 93.8% (15 of 16) of all reports.
Not Classified
Aggregated GHS information provided per 16 reports by companies from 3 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-3-methyl-, S,S-dioxide
Hazard Traits - Bioaccumulation; Environmental Persistence
Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-3-methyl-: 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 CategoriesNot Classified
Sicherheit und Schutzausrüstung
Protective Action Criteria (PAC)
12 [mg/m3]
130 [mg/m3]
790 [mg/m3]
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1219 3/PG 2
- hs_code
- 29349990
- RTECS-Nr.
- SJ7456000
- risk_code
- 11-36-67-36/37/38-20/21/22
Chemie und Industrie
Pharmakologische Informationen
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)
Verwendung und Herstellung
UsesA sulfonphthalein dye used as a pH indicator; [CHEMINFO] Used as a pH indicator for the pH range of 3.8-5.4; [Ullmann]
Use ClassificationCosmetics -> Cosmetic colorant
General Manufacturing InformationPhenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-3-methyl-: ACTIVE
Anwendungen
VerwendenBromocresol Green is a pH sensitive indicator used in the growth medium for microorganisms and titrations. It is useful in various colorimetric detection studies and as an actively tracking dye for DNA agarose gel electrophoresis. It acts as an inhibitor of prostaglandin E2 transport protein. It is also used in TLC for visualizing compounds containing functional groups having pKa less than 5.
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