3-Iodobenzoic acid

Basic Information

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CAS Number

618-51-9

Molecular Formula

C7H5IO2

Molecular Weight

248.02 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

185-187 °C

Boiling Point

337.2℃ at 760 mmHg

Density

2.2170 (estimate)

Water Solubility

Soluble in Chloroform and Methanol. Insoluble in water.

Flash Point

157.7℃

SMILES

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C1=CC(=CC(=C1)I)C(=O)O

InChI

InChI=1S/C7H5IO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)

InChIKey

KVBWBCRPWVKFQT-UHFFFAOYSA-N

LogP

1.9894

pKa

3.8(at 25℃)

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

136

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

Hazard Class

Class IRRITANT Class IRRITANT

Class LIGHT SENSITIVE Class LIGHT SENSITIVE

Sensitiveness

Light Sensitive

Synonyms & References

English

EN300-17391
3-IODOBENZOIC ACID
FT-0615895
618-51-9
SCHEMBL40282
M-CARBOXYIODOBENZENE
Benzoic acid, m-iodo-
NSC74693
SY001406
NS00034816
AKOS000119736
NCIOpen2_003856
HMS1783G17
BENZOIC ACID, 3-(IODOCARBONYL)-
W-105089
AB01333667-02
F2191-0117
Q4ZCP9G95X
NSC 74693
PS-7510
STR07725
SB66453
Q18472702
EINECS 210-555-2
DTXSID6060682
META-IODOBENZOIC ACID
Benzoic acid, 3-iodo-
AC-22932
InChI=1/C7H5IO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10
m-Iodobenzoic acid
3-Iodo benzoic acid

MDL Number

MFCD00002496

Customs Code

2916399090

FAQ

What is 3-Iodobenzoic acid (CAS: 618-51-9)?

3-Iodobenzoic acid (CAS: 618-51-9) is an organic compound with the molecular formula C7H5IO3. It is a white crystalline solid with a pungent odor. This compound is an aromatic acid with an iodine substituent at the 3-position of the benzene ring.

What are the main uses of 3-Iodobenzoic acid (CAS: 618-51-9)?

3-Iodobenzoic acid is primarily used in the synthesis of other organic compounds, particularly in the pharmaceutical industry for the production of certain drugs. It can also be used as an intermediate in the preparation of dyes and pigments. Additionally, it serves as a reagent in analytical chemistry.

Is 3-Iodobenzoic acid (CAS: 618-51-9) safe?

3-Iodobenzoic acid (CAS: 618-51-9) is generally considered safe when handled with proper precautions. It is slightly toxic and should be stored out of reach of children and pets. Protective equipment such as gloves and goggles should be worn when handling the compound. Avoid skin contact and inhalation of dust or aerosols. Exposure to high temperatures may cause decomposition.

How should 3-Iodobenzoic acid (CAS: 618-51-9) be stored?

3-Iodobenzoic acid (CAS: 618-51-9) should be stored in a cool, dry place, away from direct sunlight and heat sources. It is recommended to keep it in a tightly sealed container to prevent moisture absorption. The storage temperature should not exceed 25°C, and relative humidity should be maintained below 50%. Handle with care to avoid spillage and ensure good ventilation in the storage area.