Benzoic acid,3,3'-[(1,6-dioxo-1,6-hexanediyl)diimino]bis[2,4,6-triiodo- supplier

Name
IODIPAMIDE
EINECS 210-105-5
CAS No. 606-17-7
Density 2.8 g/cm³
Solubility 0.46g/L(20 oC)
Melting Point 306-308°C (dec.)
Formula C₂₀H₁₄I₆N₂O₆
Boiling Point 908.6 °C at 760 mmHg
Molecular Weight 1139.77
Flash Point 503.3 °C
Transport Information
Appearance Crystalline Solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzoicacid, 3,3'-(adipoyldiimino)bis[2,4,6-triiodo- (6CI,8CI);3,3'-(Adipoyldiimino)-bis(2,4,6-triiodobenzoicacid);Adipic acid bis(3-carboxy-2,4,6-triiodoanilide);Adipic aciddi(3-carboxy-2,4,6-triiodoanilide);Adipiodon;Adipiodone;Bilignost;Biligrafin;Cholografin;Iodipamic acid;Iodipamide;N,N'-Adipylbis(3-amino-2,4,6-triiodobenzoic acid);Transbilix;
PSA 132.80000
LogP 6.99420

Benzoic acid,3,3'-[(1,6-dioxo-1,6-hexanediyl)diimino]bis[2,4,6-triiodo- Specification

The Benzoic acid,3,3'-[(1,6-dioxo-1,6-hexanediyl)diimino]bis[2,4,6-triiodo-, with CAS registry number 606-17-7, belongs to the following product categories: (1)Aromatics; (2)Diagnostic; (3)Intermediates & Fine Chemicals; (4)Pharmaceuticals. It has the systematic name of 3,3'-[(1,6-dioxohexane-1,6-diyl)diimino]bis(2,4,6-triiodobenzoic acid). This chemical is a kind of crystalline solid. The main use of this chemical is for diagnostic agents. And it can be prepared by 3-Aminobenzoic acid.

Physical properties of Benzoic acid,3,3'-[(1,6-dioxo-1,6-hexanediyl)diimino]bis[2,4,6-triiodo-: (1)ACD/LogP: 2.69; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.46; (4)ACD/LogD (pH 7.4): -1.46; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 8; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 93.22 Å²; (13)Index of Refraction: 1.835; (14)Molar Refractivity: 179.56 cm³; (15)Molar Volume: 407 cm³; (16)Polarizability: 71.18×10^-24cm³; (17)Surface Tension: 88.2 dyne/cm; (18)Density: 2.8 g/cm³; (19)Flash Point: 503.3 °C; (20)Enthalpy of Vaporization: 138.38 kJ/mol; (21)Boiling Point: 908.6 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1c(I)c(c(I)cc1I)C(=O)O)CCCCC(=O)Nc2c(I)c(C(=O)O)c(I)cc2I
(2)InChI: InChI=1/C20H14I6N2O6/c21-7-5-9(23)17(15(25)13(7)19(31)32)27-11(29)3-1-2-4-12(30)28-18-10(24)6-8(22)14(16(18)26)20(33)34/h5-6H,1-4H2,(H,27,29)(H,28,30)(H,31,32)(H,33,34)
(3)InChIKey: FFINMCNLQNTKLU-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C20H14I6N2O6/c21-7-5-9(23)17(15(25)13(7)19(31)32)27-11(29)3-1-2-4-12(30)28-18-10(24)6-8(22)14(16(18)26)20(33)34/h5-6H,1-4H2,(H,27,29)(H,28,30)(H,31,32)(H,33,34)
(5)Std. InChIKey: FFINMCNLQNTKLU-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	2440mg/kg (2440mg/kg)		Investigative Radiology. Vol. 15, Pg. S142, 1980.

Product Name

IODIPAMIDE

Benzoic acid,3,3'-[(1,6-dioxo-1,6-hexanediyl)diimino]bis[2,4,6-triiodo- Specification

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