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3520-42-1 molecular structure
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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 and InChIs

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

Cite this record

CBID:102192 http://www.chembase.cn/molecule-102192.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

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

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -2.6820323  H Acceptors
H Donor LogD (pH = 5.5) 0.23346275 
LogD (pH = 7.4) -0.07089382  Log P 1.2504811 
Molar Refractivity 169.6655 cm3 Polarizability 57.26051 Å3
Polar Surface Area 129.88 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
methanol: soluble1 mg/mL expand Show data source
Apperance
powder expand Show data source
Absorption Wavelength
λmax 554 nm expand Show data source
Fluorescence
λex 565 nm; λem 586 nm in H2O expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
RTECS
BP6750000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
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German water hazard class
2 expand Show data source
Risk Statements
36/37/38 expand Show data source
R:36/37/38 expand Show data source
Safety Statements
24/25 expand Show data source
26 expand Show data source
S:22-36/37/39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
Dye Content ~75% expand Show data source
Compostion
Dye content, ~75% expand Show data source
Dye content, 75% expand Show data source
Certificate of Analysis
Download expand Show data source
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Suitability
suitable for cell culture expand Show data source
Empirical Formula (Hill Notation)
C27H29N2NaO7S2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02100525 external link
Renders proteins and antibodies intensely fluorescent
MP Biomedicals - 02152479 external link
Dye content: ~ 75%
MP Biomedicals - 05204298 external link
MP Biomedicals Rare Chemical collection
MP Biomedicals - 02194599 external link
Cell Culture Reagent
Dye content: ~ 75%
MP Biomedicals - 05211379 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - S1402 external link
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 external link
包装
5, 25 g in glass bottle
Sigma Aldrich - 230162 external link
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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