CAS No.11121-48-5,ROSE BENGAL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	11121-48-5
Name:	ROSE BENGAL
Article Data:	1

Formula:	C₂₀H₂Cl₄I₄Na₂O₅
Molecular Weight:	971.663
Synonyms:	C.I.AcidRed94(45440);redno.105;rose;RB;TETRACHLOROTETRAIODOFLUORESCEIN SODIUM SALT;TETRAIODOTETRACHLOROFLUORESCEIN DISODIUM SALT;SODIUM TETRAIODODICHLOROFLUORESCEIN;ROSE BENGAL
EINECS:	211-182-8
Density:	2.88g/cm³
Boiling Point:	757.8 °C at 760 mmHg
Flash Point:	412.1 °C
Hazard Symbols:	Xi
Risk Codes:	36
Safety:	22-24/25
PSA:	93.40000
LogP:	8.10410

Synthetic route

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

: bengal rosa trianion semireduced radical

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

B: 26985-31-9
methyl viologen cation radical

Conditions

Conditions	Yield
Equilibrium constant;

...Expand

: bengal rosa trianion semireduced radical

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

Conditions

Conditions	Yield
With oxygen
With oxygen Rate constant;
With diethylenetriaminopentaacetic acid; iron(III) Rate constant;
With ethylenediaminetetraacetic acid; iron(III) Rate constant;

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

: 26985-31-9
methyl viologen cation radical

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

B: bengal rosa trianion semireduced radical

Conditions

Conditions	Yield
Equilibrium constant;

...Expand

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

: bengal rosa trianion semireduced radical

Conditions

Conditions	Yield
With e-aq Rate constant;
With e-aq
With carbon dioxide anion radical phosphate puffer pH: 7;

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

: bengal rosa monoanion semioxidised radical

Conditions

Conditions	Yield
With azide radical phosphate puffer pH: 7;

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

: nicotinamide adenine dinucleotide radical

A: 53-84-9
NAD

B: bengal rosa trianion semireduced radical

C 1: 1

Conditions

Conditions	Yield
Rate constant;

...Expand

: 258864-54-9
trihexyl(tetradecyl)phosphonium chloride

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

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

Conditions

Conditions	Yield
In dichloromethane; water for 48h;

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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