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Acid Red 94

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Name

Acid Red 94

EINECS 211-183-3
CAS No. 632-69-9 Density N/A
PSA 93.40000 LogP 8.10410
Solubility Water Solubility: soluble Melting Point >300 °C
Formula C20H2Cl4I4Na2O5 Boiling Point 741.8 °C at 760 mmHg
Molecular Weight 1017.64 Flash Point 402.4 °C
Transport Information N/A Appearance bordeaux-red to red-brown crystalline powder
Safety 22-24/25-37/39-26 Risk Codes 36/38
Molecular Structure Molecular Structure of 632-69-9 (Acid Red 94) Hazard Symbols IrritantXi
Synonyms

Fluorescein,4,5,6,7-tetrachloro-2',4',5',7'-tetraiodo-, disodium salt (8CI);Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one,4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodo-, disodium salt(9CI);2',4',5',7'-Tetraiodo-3,4,5,6-tetrachlorofluorescein disodium salt;3',4',5',6'-Tetrachloro-2,4,5,7-tetraiodofluoresceindisodium salt;Japan Red 105-1;Red No. 105-1;Rose Bengal Extra;Rose Bengaldisodium;Rose Bengal sodium;Sodiumtetraiodotetrachlorofluorescein;Rose benCal Na salt;

Article Data 3

Acid Red 94 Synthetic route

24545-87-7

rose bengal

632-69-9

rose bengal

Conditions
ConditionsYield
With sodium nitrate; zinc(II) oxide In water Mechanism; Irradiation; lifetime of oxidized dye;
4159-77-7

Rose Bengal lactone

632-69-9

rose bengal

Conditions
ConditionsYield
With hydrogenchloride
10287-53-3

ethyl p-dimethyaminolbenzoate

114601-94-4

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

A

C11H15NO2(1+)

B

632-69-9

rose bengal

Conditions
ConditionsYield
In acetonitrile Kinetics; Quantum yield;

C20H2Cl4I4O5(3-)*2Na(1+)

3584-23-4

2-(4-methoxyphenyl)-4,6-bis(trichloromethyl)-s-triazine

A

C12H7Cl6N3O(1-)

B

632-69-9

rose bengal

Conditions
ConditionsYield
In acetonitrile Kinetics; Quantum yield;
17696-11-6

8-bromooctanoic acid

632-69-9

rose bengal

936258-01-4

8-((2,3,4,5-tetrachloro-6-(6-hydroxy-2,4,5,7-tetraiodo-3-oxo-3H-xanthen-9-yl)benzoyl)oxy)octanoic acid

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 20℃; for 2h; Inert atmosphere;96%
In N,N-dimethyl-formamide at 80℃;80%
poly(N-isopropylacrylamide-co-vinylbenzylchloride); monomer(s): N-isopropylacrylamide; 4-vinylbenzyl chloride

poly(N-isopropylacrylamide-co-vinylbenzylchloride); monomer(s): N-isopropylacrylamide; 4-vinylbenzyl chloride

632-69-9

rose bengal

poly(N-isopropylacrylamide-co-rose bengal), Mn = 55000, Mw / Mn = 2.6, NIPAM : RB units ratio = 501 : 1; monomer(s): N-isopropylacrylamide; 4-vinylbenzyl chloride; Rose Bengal

poly(N-isopropylacrylamide-co-rose bengal), Mn = 55000, Mw / Mn = 2.6, NIPAM : RB units ratio = 501 : 1; monomer(s): N-isopropylacrylamide; 4-vinylbenzyl chloride; Rose Bengal

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 80℃; for 16h;94%
632-69-9

rose bengal

75-03-6

ethyl iodide

88157-10-2

ethyl 4,5,6,7-tetrachloro-7a-(6'-hydroxy-2',4',5',7'-tetraiodo-3'-oxo-3H-xanthen-9'-yl)benzoate

Conditions
ConditionsYield
In water; acetone Heating;83%
In water; acetone Heating;
Heating;
632-69-9

rose bengal

74-88-4

methyl iodide

106805-50-9

2,3,4,5-Tetrachloro-6-(6-hydroxy-2,4,5,7-tetraiodo-3-oxo-3H-xanthen-9-yl)-benzoic acid methyl ester

Conditions
ConditionsYield
With hydrogenchloride; tetrabutyl-ammonium chloride In tetrahydrofuran for 12h; Heating;82.8%
632-69-9

rose bengal

100-44-7

benzyl chloride

88179-79-7

Rose Bengal benzyl ester

Conditions
ConditionsYield
In water; acetone Heating;82%
In water; acetone Heating;
In water; acetone
632-69-9

rose bengal

4159-77-7

Rose Bengal lactone

Conditions
ConditionsYield
With hydrogenchloride In water80%

Acid Red 94 Consensus Reports

Reported in EPA TSCA Inventory.

Acid Red 94 Specification

The Acid Red 94, with the CAS registry number 632-69-9, is also known as Acid Red 94. It belongs to the product categories of RB; Organics; Food Colors by Food Sanitation Law in Japan; Analytical Chemistry. Its EINECS registry number is 211-183-3. This chemical's molecular formula is C20H2Cl4I4Na2O5 and molecular weight is 1017.64. What's more, its IUPAC name is called Disodium 2,3,4,5-tetrachloro-6-(2,4,5,7-tetraiodo-3-oxido-6-oxoxanthen-9-yl)benzoate. It should be stored in a cool, dry and well-ventilated place. This chemical can be prepared by Tetrachlorofluorescein via iodization and sodium chloride salting-out. It is used as a adsorption indicator and biological dye. In addition, the product can be used for anti-tumor and antiviral syndrome treatment.

Physical properties about Acid Red 94 are: (1)ACD/LogP: 8.874; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 7.48; (4)ACD/LogD (pH 7.4): 4.81; (5)ACD/BCF (pH 5.5): 132680.30; (6)ACD/BCF (pH 7.4): 285.04; (7)ACD/KOC (pH 5.5): 65003.51; (8)ACD/KOC (pH 7.4): 139.65; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 75.99 Å2; (13)Flash Point: 402.4 °C; (14)Enthalpy of Vaporization: 112 kJ/mol; (15)Boiling Point: 741.8 °C at 760 mmHg; (16)Vapour Pressure: 9.39E-23 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. You must avoid contacting with skin and eyes. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: [Na+].[Na+].Ic5cc4c(Oc1c(cc(I)c([O-])c1I)C43OC(=O)c2c3c(Cl)c(Cl)c(Cl)c2Cl)c(I)c5[O-]
(2) InChI: InChI=1S/C20H4Cl4I4O5.2Na/c21-9-7-8(10(22)12(24)11(9)23)20(33-19(7)31)3-1-5(25)15(29)13(27)17(3)32-18-4(20)2-6(26)16(30)14(18)28;;/h1-2,29-30H;;/q;2*+1/p-2
(3) InChIKey: KCQREHTWEUECQT-UHFFFAOYSA-L

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