Basic information
- Name:
Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one,4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodo-, sodium salt (1:2)
- Superlist Name:
- Rose Bengal sodium salt
- CAS No.:
632-69-9
- Molecular Structure:
![Molecular Structure of 632-69-9 (Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one,4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodo-, sodium salt (1:2))](http://www.lookchem.com/300w/2010/0623/632-69-9.jpg)
- Formula:
- C20H2Cl4I4Na2O5
- Molecular Weight:
- 1017.64
- Deleted CAS:
- 157367-41-4,15816-66-7,18265-56-0,192930-93-1,198831-91-3,337360-08-4,410097-66-4,51799-27-0,55711-73-4,677032-84-7,74198-03-1,861686-24-0
- 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 Description:
- 22-24/25-37/39-26 Details
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Specification
The Rose Bengal sodium salt, 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 Rose Bengal sodium salt 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