3-Acetamido-2,4,6-triiodobenzoic acid

Basic Information

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CAS Number

85-36-9

Molecular Formula

C9H6I3NO3

Molecular Weight

556.86 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

547.1 ºC

Density

2.5688 (estimate)

Flash Point

284.7 ºC

SMILES

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CC(=O)NC1=C(C=C(C(=C1I)C(=O)O)I)I

InChI

InChI=1S/C9H6I3NO3/c1-3(14)13-8-5(11)2-4(10)6(7(8)12)9(15)16/h2H,1H3,(H,13,14)(H,15,16)

InChIKey

GNOGSFBXBWBTIG-UHFFFAOYSA-N

LogP

3.157000000000001

Topological Polar Surface Area

66.4 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

300

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

BRN 2219129
Spectrum_001759
InChI=1/C9H6I3NO3/c1-3(14)13-8-5(11)2-4(10)6(7(8)12)9(15)16/h2H,1H3,(H,13,14)(H,15,16)
Urokon
3-acetamido-2,4,6-triiodbenzoesyre
Acetrizoesaeure
Q3604494
Spectrum2_000028
KBio3_001875
SCHEMBL433123
NCGC00095105-05
HY-B1406
HMS2093A04
Spectrum5_001859
NSC-758681
T71398
CS-4861
HMS1922D11
DTXSID2022549
NCGC00095105-01
Acetrizoic acid
Acetrizoate
Spectrum3_000988
Pharmakon1600-01504142
CCG-40045
KBioSS_002239
SR-05000001942-1
AB01563018_01
ACETRIZOIC ACID [MI]
AS-56665
3-Acetamino-2,4,6-triiodobenzoic acid

MDL Number

MFCD00016495

Customs Code

2924299090

FAQ

What are the physical and chemical properties of 3-Acetamido-2,4,6-triiodobenzoic acid (CAS: 85-36-9)?

3-Acetamido-2,4,6-triiodobenzoic acid (CAS: 85-36-9) is a crystalline solid with a molecular weight of approximately 514.01 g/mol. It has a low solubility in water and organic solvents. Chemically, it exhibits high reactivity with reducing agents and is susceptible to hydrolysis under basic conditions.

How is 3-Acetamido-2,4,6-triiodobenzoic acid (CAS: 85-36-9) typically synthesized?

3-Acetamido-2,4,6-triiodobenzoic acid (CAS: 85-36-9) is typically synthesized by acetylation of 2,4,6-triiodobenzoic acid followed by the introduction of an acetamide group. This process involves the use of acetic anhydride and a catalyst such as aluminum chloride. The reaction is carried out under anhydrous conditions to minimize side reactions.

What industries use 3-Acetamido-2,4,6-triiodobenzoic acid (CAS: 85-36-9)?

3-Acetamido-2,4,6-triiodobenzoic acid (CAS: 85-36-9) finds application in pharmaceuticals, where it serves as an intermediate in the synthesis of certain drugs. It is also used in the production of sensors due to its unique spectroscopic properties and in the semiconductor industry for its electronic characteristics.

What precautions should be taken when handling 3-Acetamido-2,4,6-triiodobenzoic acid (CAS: 85-36-9)?

When handling 3-Acetamido-2,4,6-triiodobenzoic acid (CAS: 85-36-9), ensure the use of personal protective equipment (PPE) including gloves, goggles, and a lab coat. Store it in a cool, dry place away from sources of heat and moisture. In case of a spill, clean up under a fume hood, using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.