sodium 4-[6-(diethylamino)-3-(diethyliminiumyl)-3H-xanthen-9-yl]benzene-1,3-disulfonate

• ChemBase ID: 102192
• Molecular Formular: C27H29N2NaO7S2
• Molecular Mass: 580.64813
• Monoisotopic Mass: 580.13138756
• SMILES: [Na+].CCN(CC)c1cc2c(cc1)c(c1ccc(=[N+](CC)CC)cc1o2)c1c(cc(cc1)S(=O)(=O)[O-])S(=O)(=O)[O-]
• Canonical SMILES: CCN(c1ccc2c(c1)oc1c(c2c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])ccc(=[N+](CC)CC)c1)CC.[Na+]
• InChI: InChI=1S/C27H30N2O7S2.Na/c1-5-28(6-2)18-9-12-21-24(15-18)36-25-16-19(29(7-3)8-4)10-13-22(25)27(21)23-14-11-20(37(30,31)32)17-26(23)38(33,34)35;/h9-17H,5-8H2,1-4H3,(H-,30,31,32,33,34,35);/q;+1/p-1
• InChIKey: SXQCTESRRZBPHJ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium 4-[6-(diethylamino)-3-(diethyliminiumyl)-3H-xanthen-9-yl]benzene-1,3-disulfonate
• IUPAC Traditional name: sodium 4-[3-(diethylamino)-6-(diethyliminio)xanthen-9-yl]benzene-1,3-disulfonate; potassium 4-[3-(diethylamino)-6-(diethyliminio)xanthen-9-yl]benzene-1,3-disulfonate
• Synonyms: ACID RHODAMINE B; Sulforhodamine B monosodium salt; Sulforhodamine B; Sulforhodamine B sodium salt; Sulforhodamine B on Diatomaceous earch; LISSAMINE RHODAMINE B-200 ON CELITE 5%; Acid Red 52; Phloxinrhodamine; SULFORHODAMINE B; LISSAMINE RHODAMINE B-200; C.I. 45100; Sulforhodamine B; Kiton Red S; 奇通红S

Database IDs

• CAS Number: 3520-42-1
• EC Number: 222-529-8
• MDL Number: MFCD00010180
• Beilstein Number: 3886008
• PubChem SID: 162088417; 24853778; 24899477; 24899824
• PubChem CID: 9916275
• Color Index Number: 45100

CALCULATED PROPERTIES

• Acid pKa: -2.6820323
• H Acceptors: 8
• H Donor: 0
• LogD (pH = 5.5): 0.23346275
• LogD (pH = 7.4): -0.07089382
• Log P: 1.2504811
• Molar Refractivity: 169.6655 cm^3
• Polarizability: 57.26051 Å^3
• Polar Surface Area: 129.88 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: methanol: soluble1 mg/mL
• Apperance: powder
• Absorption Wavelength: λmax 554 nm
• Fluorescence: λex 565 nm; λem 586 nm in H2O

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: BP6750000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36/37/38; R:36/37/38
• Safety Statements: 24/25; 26; S:22-36/37/39
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: Dye Content ~75%
• Compostion: Dye content, ~75%; Dye content, 75%
• Suitability: suitable for cell culture
• Empirical Formula (Hill Notation): C27H29N2NaO7S2

DETAILS

MP Biomedicals - 02100525

Renders proteins and antibodies intensely fluorescent

MP Biomedicals - 02152479

Dye content: ~ 75%

MP Biomedicals - 05204298

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02194599

Cell Culture Reagent
Dye content: ~ 75%

MP Biomedicals - 05211379

MP Biomedicals Rare Chemical collection

Sigma Aldrich - S1402

Application
Use as a fluorescent dye to quantify cellular proteins in cultured cells.
包装
1, 5, 25 g in glass bottle

Sigma Aldrich - S9012

包装
5, 25 g in glass bottle

Sigma Aldrich - 230162

Packaging
1, 5 g in glass bottle