3-Iodo-4-methylbenzoic acid

Basic Information

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CAS Number

82998-57-0

Molecular Formula

C8H7IO2

Molecular Weight

262.05 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

207.0 to 212.0 deg-C

Boiling Point

278.5°C (rough estimate)

Density

1.7835 (estimate)

Flash Point

168.6℃

Solubility

Soluble in methanol.

SMILES

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CC1=C(C=C(C=C1)C(=O)O)I

InChI

InChI=1S/C8H7IO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11)

InChIKey

LDDHMKANNXWUAK-UHFFFAOYSA-N

LogP

2.29782

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

158

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

Sensitiveness

Light Sensitive

Synonyms & References

English

Benzoic acid, 3-iodo-4-methyl-
3-Iodo-4-Methyl-Benzoic Acid
AN-970/40920439
82998-57-0
AB01315040-02
BCP15174
3-Iodo-4-methyl benzoic acid
Z239685220
FT-0615914
InChI=1/C8H7IO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11
3-Iodo-4-methylbenzoic acid
AC-2734
A20386
CS-W020661
AKOS000137744
VT5XC5P433
SCHEMBL590030
SY002748
3-Iodo-p-toluic Acid
3-Iodo-4-Nitrobenzoic acid;3-Iodo-p-anisic acid;3-Iodo-p-toluicacid
I0707
EN300-68156
MFCD00010392
A840481
PS-7355
NCGC00320567-01
O11020
3-Iodo-4-methylbenzoic acid, 97%
AM20041223
3-Iodo-4-methylbenzoic acid acid
3-iodo-4-toluic acid

MDL Number

MFCD00010392

Customs Code

2916399090

FAQ

What is 3-Iodo-4-methylbenzoic acid (CAS: 82998-57-0)?

3-Iodo-4-methylbenzoic acid is an organic compound with the chemical formula C9H7IO2. It is a white or off-white crystalline solid with a high melting point. This compound is used in various applications, including pharmaceuticals and research.

What are the main uses of 3-Iodo-4-methylbenzoic acid (CAS: 82998-57-0)?

3-Iodo-4-methylbenzoic acid is primarily used in pharmaceuticals for its anti-inflammatory and anti-tumor properties. It is also used in research for synthesizing other compounds and as a reagent in analytical chemistry.

Is 3-Iodo-4-methylbenzoic acid (CAS: 82998-57-0) safe?

3-Iodo-4-methylbenzoic acid is listed as non-toxic, but it is important to handle it with care. Wear gloves and protective eyewear when handling. Avoid inhalation of dust and contact with skin or eyes. Store in a cool, dry place, away from direct sunlight.

How should 3-Iodo-4-methylbenzoic acid (CAS: 82998-57-0) be stored?

3-Iodo-4-methylbenzoic acid should be stored in a cool, dry place, away from direct sunlight and heat sources. Keep the container tightly closed to prevent moisture absorption. Store it in a well-ventilated area and ensure the container is made of appropriate materials, such as glass or metal, to prevent contamination.