Product Name

  • Name

    ROSE BENGAL

  • EINECS 211-182-8
  • CAS No. 11121-48-5
  • Article Data1
  • CAS DataBase
  • Density 2.88g/cm3
  • Solubility
  • Melting Point
  • Formula C20H2Cl4I4Na2O5
  • Boiling Point 757.8 °C at 760 mmHg
  • Molecular Weight 971.663
  • Flash Point 412.1 °C
  • Transport Information
  • Appearance
  • Safety 22-24/25
  • Risk Codes 36
  • Molecular Structure Molecular Structure of 11121-48-5 (ROSE BENGAL)
  • Hazard Symbols IrritantXi
  • Synonyms C.I.AcidRed94(45440);redno.105;rose;RB;TETRACHLOROTETRAIODOFLUORESCEIN SODIUM SALT;TETRAIODOTETRACHLOROFLUORESCEIN DISODIUM SALT;SODIUM TETRAIODODICHLOROFLUORESCEIN;ROSE BENGAL
  • PSA 93.40000
  • LogP 8.10410

Synthetic route

Paraquat
4685-14-7, 25128-26-1

Paraquat

bengal rosa trianion semireduced radical

bengal rosa trianion semireduced radical

A

2,4,5,7-tetraiodo-3',4',5',6'-tetrachlorofluorescein dianion
11121-48-5

2,4,5,7-tetraiodo-3',4',5',6'-tetrachlorofluorescein dianion

B

methyl viologen cation radical
26985-31-9

methyl viologen cation radical

Conditions
ConditionsYield
Equilibrium constant;
...Expand
bengal rosa trianion semireduced radical

bengal rosa trianion semireduced radical

2,4,5,7-tetraiodo-3',4',5',6'-tetrachlorofluorescein dianion
11121-48-5

2,4,5,7-tetraiodo-3',4',5',6'-tetrachlorofluorescein dianion

Conditions
ConditionsYield
With oxygen
With oxygen Rate constant;
With diethylenetriaminopentaacetic acid; iron(III) Rate constant;
With ethylenediaminetetraacetic acid; iron(III) Rate constant;
2,4,5,7-tetraiodo-3',4',5',6'-tetrachlorofluorescein dianion
11121-48-5

2,4,5,7-tetraiodo-3',4',5',6'-tetrachlorofluorescein dianion

methyl viologen cation radical
26985-31-9

methyl viologen cation radical

A

Paraquat
4685-14-7, 25128-26-1

Paraquat

B

bengal rosa trianion semireduced radical

bengal rosa trianion semireduced radical

Conditions
ConditionsYield
Equilibrium constant;
...Expand
2,4,5,7-tetraiodo-3',4',5',6'-tetrachlorofluorescein dianion
11121-48-5

2,4,5,7-tetraiodo-3',4',5',6'-tetrachlorofluorescein dianion

bengal rosa trianion semireduced radical

bengal rosa trianion semireduced radical

Conditions
ConditionsYield
With e-aq Rate constant;
With e-aq
With carbon dioxide anion radical phosphate puffer pH: 7;
2,4,5,7-tetraiodo-3',4',5',6'-tetrachlorofluorescein dianion
11121-48-5

2,4,5,7-tetraiodo-3',4',5',6'-tetrachlorofluorescein dianion

bengal rosa monoanion semioxidised radical

bengal rosa monoanion semioxidised radical

Conditions
ConditionsYield
With azide radical phosphate puffer pH: 7;
2,4,5,7-tetraiodo-3',4',5',6'-tetrachlorofluorescein dianion
11121-48-5

2,4,5,7-tetraiodo-3',4',5',6'-tetrachlorofluorescein dianion

nicotinamide adenine dinucleotide radical

nicotinamide adenine dinucleotide radical

A

NAD
53-84-9

NAD

B

bengal rosa trianion semireduced radical

bengal rosa trianion semireduced radical

C

1

1

Conditions
ConditionsYield
Rate constant;
...Expand
trihexyl(tetradecyl)phosphonium chloride
258864-54-9

trihexyl(tetradecyl)phosphonium chloride

2,4,5,7-tetraiodo-3',4',5',6'-tetrachlorofluorescein dianion
11121-48-5

2,4,5,7-tetraiodo-3',4',5',6'-tetrachlorofluorescein dianion

2C32H68P(1+)*C20H2Cl4I4O5(2-)

2C32H68P(1+)*C20H2Cl4I4O5(2-)

Conditions
ConditionsYield
In dichloromethane; water for 48h;

4,5,6,7-Tetrachloro-2',4',5',7'-tetraiodofluorescein dipotassium salt Specification

The Rose Bengal, with the CAS registry number 11121-48-5, is also known as Rose Bengal. It belongs to the classification codes of Coloring Agents; Fluorescent Dyes; Indicators and Reagents; Luminescent Agents; Mutation data. Its EINECS registry number is 211-182-8. This chemical's molecular formula is C20H2Cl4I4Na2O5 and molecular weight is 1017.64. What's more, both its IUPAC name and systematic name are the same which is called Dipotassium 2,3,4,5-tetrachloro-6-(2,4,5,7-tetraiodo-3-oxido-6-oxoxanthen-9-yl)benzoate. This chemical is a stain. Its sodium salt is commonly used in eye drops to stain damaged conjunctival and corneal cells and thereby identify damage to the eye. The stain is also used in the preparation of Foraminifera for microscopic analysis, allowing the distinction between forms that were alive or dead at the time of collection.

Physical properties about Rose Bengal are: (1)ACD/LogP: 9.583; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 6.09; (4)ACD/LogD (pH 7.4): 5.46; (5)ACD/BCF (pH 5.5): 3599.84; (6)ACD/BCF (pH 7.4): 849.18; (7)ACD/KOC (pH 5.5): 1239.68; (8)ACD/KOC (pH 7.4): 292.43; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 83.83 Å2; (13)Flash Point: 412.1 °C; (14)Enthalpy of Vaporization: 115.83 kJ/mol; (15)Boiling Point: 757.8 °C at 760 mmHg; (16)Vapour Pressure: 3.91E-24 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes and it is irritating to eyes. The gas can not be breathed. Therefore, you should avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
(1) SMILES: [K+].[K+].[O-]C(=O)c4c(Cl)c(Cl)c(Cl)c(Cl)c4C=1c3cc(I)c([O-])c(I)c3OC=2C=1\C=C(\I)C(=O)C=2I
(2) InChI: InChI=1S/C20H4Cl4I4O5.2K/c21-10-8(9(20(31)32)11(22)13(24)12(10)23)7-3-1-5(25)16(29)14(27)18(3)33-19-4(7)2-6(26)17(30)15(19)28;;/h1-2,29H,(H,31,32);;/q;2*+1/p-2
(3) InChIKey: AZJPTIGZZTZIDR-UHFFFAOYSA-L

Related Products

Hot Products

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View