Acid Red 94 supplier | CasNO.632-69-9

Name
Acid Red 94
EINECS 211-183-3
CAS No. 632-69-9
Article Data3
CAS DataBase
Density
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
Appearance bordeaux-red to red-brown crystalline powder
Safety 22-24/25-37/39-26
Risk Codes 36/38
Molecular Structure
Hazard Symbols Xi
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;
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%

: 4224-70-8
6-bromohexanoic acid

: 632-69-9
rose bengal

: 106805-54-3
2,3,4,5-Tetrachloro-6-(6-hydroxy-2,4,5,7-tetraiodo-3-oxo-3H-xanthen-9-yl)-benzoic acid 5-carboxy-pentyl ester

Conditions

Conditions	Yield
With potassium carbonate In acetone Reflux;	76%
In water; acetone at 80℃; for 24h;	22%

: 632-69-9
rose bengal

: C21H42Cl3N3O12Si3

: C81H48Cl12I12N3O27Si3(3-)*3Na(1+)

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 60℃; for 20h;	33%

: 2576-47-8
2-bromoethylamine hydrobromide

: 632-69-9
rose bengal

: C22H8Cl4I4NO5(1-)*Na(1+)*BrH

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 80℃; for 7h; Inert atmosphere;	30%

: 632-69-9
rose bengal

: 35013-72-0
biotin N-Hydroxysuccinimide ester

: C32H23Cl4I4N3O7S

Conditions

Conditions	Yield
With triethylamine In aq. phosphate buffer; dimethyl sulfoxide at 20℃; for 12h; pH=9;	10%

: 74-87-3
methylene chloride

: 632-69-9
rose bengal

: 92888-04-5
rose bengal methyl ester

Conditions

Conditions	Yield
sodium carbonate In acetone

: 629-27-6
1-Iodooctane

: 632-69-9
rose bengal

: 91491-52-0
Rose Bengal octyl ester

Conditions

Conditions	Yield
In water; acetone Heating;

: 4224-70-8
6-bromohexanoic acid

: 632-69-9
rose bengal

: rose bengal 5-carboxypentyl ester

Conditions

Conditions	Yield
In water; acetone Heating;
Stage #1: 6-bromohexanoic acid; rose bengal In water; acetone at 80℃; for 24h; Stage #2: With 1-hydroxy-pyrrolidine-2,5-dione; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride at 20℃;

: 2834-05-1
11-bromoundecanoic acid

: 632-69-9
rose bengal

: rose bengal 10-carboxydecyl ester

Conditions

Conditions	Yield
In water; acetone Heating;

: 123-03-5
cetylpyridinium chloride

: 632-69-9
rose bengal

: 2C21H38N(1+)*C20H2Cl4I4O5(2-)

Conditions

Conditions	Yield
In water

: 632-69-9
rose bengal

: C60H97Br3O38

: C80H99Br2Cl4I4O43(1-)*Na(1+)

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 70℃; for 20h; Yield given;

: 632-69-9
rose bengal

: C48H79BrO36

: 99377-23-8
C68H81Cl4I4O41(1-)*Na(1+)

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 70℃; for 20h;

: 632-69-9
rose bengal

: 92888-05-6
Sodium; 2,4,5,7-tetraiodo-6-oxo-9-(2,3,4,5-tetrachloro-phenyl)-6H-xanthen-3-olate

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 130℃;

: 632-69-9
rose bengal

: 2,3,4,5-Tetrachloro-6-(3,6-dihydroxy-9H-xanthen-9-yl)-benzoic acid

Conditions

Conditions	Yield
With acetic acid; zinc for 24h; Heating;

: 632-69-9
rose bengal

: 2,3,4,5-Tetrachloro-6-(3,6-dihydroxy-2,7-diiodo-9H-xanthen-9-yl)-benzoic acid

Conditions

Conditions	Yield
With acetic acid; zinc at 60℃; for 24h;

: 632-69-9
rose bengal

: 2,3,4,5-Tetrachloro-6-(3,6-dihydroxy-2,4,5,7-tetraiodo-9H-xanthen-9-yl)-benzoic acid

Conditions

Conditions	Yield
With triethanolamine In 1,2-dimethoxyethane for 4h; Irradiation;

: 632-69-9
rose bengal

: 100-44-7
benzyl chloride

: 88157-09-9
Rose Bengal benzyl ester, monosodium salt

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 80℃;
In N,N-dimethyl-formamide Heating;

: 632-69-9
rose bengal

: 540-51-2
2-bromoethanol

: 116470-95-2
Rose Bengal (c-2') 2-Hydroxyethyl Ester

Conditions

Conditions	Yield
In water; acetone Heating;

: 632-69-9
rose bengal

/PMITK014--730/: /PMITK014--730/

Conditions

Conditions	Yield
With potassium hexacyanoferrate(III) In water; acetonitrile Kinetics; Rate constant; Irradiation;
With In water; acetonitrile Kinetics; Rate constant; Irradiation;

: 632-69-9
rose bengal

/PMITK014--740/: /PMITK014--740/

Conditions

Conditions	Yield
With potassium ferrocyanide In water; acetonitrile Kinetics; Rate constant; Irradiation;

: 632-69-9
rose bengal

A /PMITK014--730/: /PMITK014--730/

B /PMITK014--740/: /PMITK014--740/

Conditions

Conditions	Yield
In water; acetonitrile Kinetics; Irradiation;

: 632-69-9
rose bengal

A /PRUMH845-3660/: /PRUMH845-3660/

B /PRUMH845-3652/: /PRUMH845-3652/

Conditions

Conditions	Yield
With oxygen; sodium sulfite at 22℃; Rate constant; Mechanism; Irradiation; also in the presence of benzoquinone;

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

Product Name

Acid Red 94

Synthetic route

Acid Red 94 Consensus Reports

Acid Red 94 Specification

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