2,3,5-Triiodobenzoic acid

Basic Information

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CAS Number

88-82-4

Molecular Formula

C7H3I3O2

Molecular Weight

499.81 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

Melting Point

220-222 °C

Boiling Point

456.7 °C at 760 mmHg

Density

2.7985 (estimate)

Water Solubility

Insoluble in water.

Flash Point

230 °C

Solubility

methanol: soluble5%, hazy, orange to very deep orange (light)

SMILES

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C1=C(C=C(C(=C1C(=O)O)I)I)I

InChI

InChI=1S/C7H3I3O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H,11,12)

InChIKey

ZMZGFLUUZLELNE-UHFFFAOYSA-N

LogP

3.1986000000000008

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

186

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Sensitiveness

Light Sensitive

Synonyms & References

English

acide 2,3,5-triiodobenzoique
2,3,5-Triiodobenzoic acid, technical grade
LS-38406
2,3,5-TRIIODOBENZOIC ACID
Floraltone
NCGC00248208-01
SY036835
NSC-2582
HY-W010784
A-20812
Triiodobenzoic acid (VAN)
CAS-88-82-4
88-82-4
CHEMBL115079
Regin 8
Tox21_300914
2,3,5-Triiodo-benzoic acid
Z104484766
InChI=1/C7H3I3O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H,11,12
EPA Pesticide Chemical Code 009104
DS-18053
NSC 2582
2,3,5-Triiodobenzoic acid, BioReagent, plant cell culture tested, >=97% (HPLC)
2,5-TIBA
DTXCID2021317
Regim 8 (Salt/Mix)
CK2209
EINECS 201-859-6
Benzoic acid, 2,3,5-triiodo-
Q27105007
SCHEMBL39041

MDL Number

MFCD00002420

Customs Code

29163900

FAQ

What is 2,3,5-Triiodobenzoic acid (CAS: 88-82-4)?

2,3,5-Triiodobenzoic acid (CAS: 88-82-4) is an aromatic carboxylic acid with three iodine atoms attached to the benzene ring. It has a molecular formula of C6H3I3COOH and is known for its strong acidic properties and iodinated structure. This compound is used in various chemical applications due to its reactivity and functional groups.

What are the main uses of 2,3,5-Triiodobenzoic acid (CAS: 88-82-4)?

2,3,5-Triiodobenzoic acid (CAS: 88-82-4) is primarily used in pharmaceutical research as a precursor for drug development. It also finds application in organic synthesis, dye manufacturing, and as an analytical reagent. Its unique iodinated structure makes it valuable in studying chemical reactivity and functional group behavior.

Is 2,3,5-Triiodobenzoic acid (CAS: 88-82-4) safe?

2,3,5-Triiodobenzoic acid (CAS: 88-82-4) should be handled with care. It may cause skin and eye irritation, and inhalation or ingestion can be harmful. Safety protocols include using gloves, safety goggles, and proper ventilation. It is classified as a hazardous substance under certain regulations and should be stored and used according to safety standards.

How should 2,3,5-Triiodobenzoic acid (CAS: 88-82-4) be stored?

2,3,5-Triiodobenzoic acid (CAS: 88-82-4) should be stored in a cool, dry, and well-ventilated place, away from light. It is typically kept in a sealed container to prevent moisture absorption. Due to its chemical nature, it is important to store it in a non-reactive environment to maintain stability and prevent degradation.