CAS No.632-68-8,ROSE BENGAL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	632-68-8
Name:	ROSE BENGAL

Formula:	C₂₀H₂Cl₄I₄K₂O₅
Molecular Weight:	1049.8534
Synonyms:	Rose bengal;
EINECS:	211-182-8
Boiling Point:	757.8 °C at 760 mmHg
Flash Point:	412.1 °C
Safety:	22-24/25
PSA:	81.65000
LogP:	9.57420

Total:22 Page 1 of 1 1

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Specification

The Rose bengale B, with the CAS registry number 632-68-8, is also known as Rose bengal. It belongs to the product category of Organics. Its EINECS registry number is 211-182-8. This chemical's molecular formula is C₂₀H₂Cl₄I₄K₂O₅ and molecular weight is 1049.85. What's more, its IUPAC name is dipotassium 4, 5, 6, 7-Tetrachloro-2', 4', 5', 7'-tetraiodo-3-oxospiro[2-benzofuran-1, 9'-xanthene]-3', 6'-diolate. Besides, the dust of this chemical can not be breathed. And you should avoid contacting with skin and eyes.

Physical properties about Rose bengale B are: (1)ACD/LogP: 9.58; (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.

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=1/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-NUQVWONBAX