CAS No.632-69-9,Acid Red 94 Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	632-69-9
Name:	Acid Red 94
Article Data:	3

Formula:	C₂₀H₂Cl₄I₄Na₂O₅
Molecular Weight:	1017.64
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;
EINECS:	211-183-3
Melting Point:	>300 °C
Boiling Point:	741.8 °C at 760 mmHg
Flash Point:	402.4 °C
Solubility:	Water Solubility: soluble
Appearance:	bordeaux-red to red-brown crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36/38
Safety:	22-24/25-37/39-26
PSA:	93.40000
LogP:	8.10410

Synthetic route

: 24545-87-7
rose bengal

: 632-69-9
rose bengal

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
In acetonitrile Kinetics; Quantum yield;

...Expand

: 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

Conditions	Yield
In acetonitrile Kinetics; Quantum yield;

...Expand

: 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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
In water; acetone Heating;	82%
In water; acetone Heating;
In water; acetone

: 632-69-9
rose bengal

: 4159-77-7
Rose Bengal lactone

Conditions

Conditions	Yield
With hydrogenchloride In water	80%

Raw Materials

24545-87-7

4159-77-7

Downstream Products

4159-77-7

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Consensus Reports

Reported in EPA TSCA Inventory.

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