m-Kresolpurpur

m-Cresol Purple

HCID 73030

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Grundinformationen

CAS: 2303-01-7
Standard-SMILES: Cc1cc(O)ccc1C1(c2ccc(O)cc2C)OS(=O)(=O)c2ccccc21
InChIKey: OLQIKGSZDTXODA-UHFFFAOYSA-N
Summenformel: C21H18O5S
Durchschnittliche Molmasse: 382,4 g/mol
Monoisotopische Masse: 382,08749484

Überblick

structure given in first source

Namen und Bezeichner

Bevorzugter Name: m-Cresol Purple
IUPAC: 4-[3-(4-hydroxy-2-methylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-3-methylphenol
Lokaler Name: m-Kresolpurpur
Englischer Name: Cresol Purple
Summenformel: C21H18O5S
Molmasse: 382.43

Namen und Synonyme

m-Cresol purple2303-01-7Cresol purple3-Cresol purplem-CresolsulfonphthaleinPhenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[3-methyl-85ODZ58K3DNSC-9607Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis(3-methyl-DTXSID3062316RefChem:500557DTXCID2036792

Weitere Namen anzeigen

Nsc 9607BETZ 04203-cresolpurplem-CresolpurplM-cresol violetpourpredem-cresolCresol Purple, M-

218-960-63,3-Bis(4-hydroxy-2-methylphenyl)-3H-benzo[c][1,2]oxathiole 1,1-dioxidem-CresolsulfonephthaleinMetacresol Purplemeta-Cresol purpleMFCD00005871NSC9607m-Cresol Purple (Technical Grade)

Datenbank-Bezeichner

CAS: 2303-01-7
PubChem CID: 73030
DTXSID: DTXSID3062316
UNII: 85ODZ58K3D
EC Number: 218-960-6

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,7
Polarare Oberfläche (TPSA): 92,2 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 2
Schwere Atome: 27
Formalladung: 0
Komplexität: 615

Experimentelle und physikochemische Eigenschaften

Chemical ClassesDyes -> Indicator Dyes

Endocrine DisruptorsPotential endocrine disrupting compound

Physical DescriptionPowder; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 250 °C · >250°C
Siedepunkt: 577.5 · 577.5±50.0 °C(Predicted)
Dichte: 1.404 · 1.404±0.06 g/cm3(Predicted)
storage temp.: room temp
Löslichkeit: Very slightly soluble in water, ethanol; soluble in methanol
Aggregatzustand: Liquid
pka: 1.51 · 1.51, 8.32(at 25℃)
Farbe: Dark green
Wasserlöslichkeit: Soluble in water and sodium hydroxide solution. Slightly soluble in alcohol.
Merck: 14 · 14,2577
BRN: 350314 · 350314
Stabilität: Stable. Incompatible with strong oxidizing agents.
Major Application: Fuel cells, sensors, display device, falsification-proof security paper, inks, correction fluid, paints, detection of electrophilic gases, lubricants, cement products, packaging system, adhesive, cosmetics, food storage, determining glucose in dialysis solution, screening of cat diseases, detecting carbohydrates, oral hygiene products
InChI: 1S/C21H18O5S/c1-13-11-15(22)7-9-17(13)21(18-10-8-16(23)12-14(18)2)19-5-3-4-6-20(19)27(24,25)26-21/h3-12,22-23H,1-2H3
InChIKey: OLQIKGSZDTXODA-UHFFFAOYSA-N
SMILES: Cc1cc(O)ccc1\C(=C2/C=CC(=O)C=C2C)c3ccccc3S(O)(=O)=O
EPA chemische Informationen: 4 · Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[3-methyl- (2303-01-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.

Not Classified

Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[3-methyl-, S,S-dioxide

Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[3-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS]

Hazard Classes and CategoriesNot Classified

Sicherheitsdaten

wgk: WGK 2 water endangering
tsca: TSCA listed
hs_code: 2934 99 90
safety_code: 24/25
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Verwendung und Herstellung

UsesUsed as an acid-base indicator; [Merck Index]

General Manufacturing InformationPhenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[3-methyl-: ACTIVE

Anwendungen · 1 Eintrag

Verwendenm-Cresol Purple acts as a pH indicator dye. It plays an important role in spectrophotometric pH measurements. It operates in the pH ranges 1.2 - 2.8 (red to yellow) and 7.4 - 9.0 (yellow to violet). Further, it is employed to stain epithelial cells and proteins.

Anbieter100 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]

上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]

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