3,5-Dichloro-4-methylbenzoic acid

Basic Information

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CAS Number

39652-34-1

Molecular Formula

C8H6Cl2O2

Molecular Weight

205.04 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

SMILES

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CC1=C(C=C(C=C1Cl)C(=O)O)Cl

InChI

InChI=1S/C8H6Cl2O2/c1-4-6(9)2-5(8(11)12)3-7(4)10/h2-3H,1H3,(H,11,12)

InChIKey

GBEJAEMDMASLJL-UHFFFAOYSA-N

LogP

3.000020000000001

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

172

Synonyms & References

English

Q27274413
EN300-305399
3,5-bis(chloranyl)-4-methyl-benzoic acid
MFCD09743850
BB 0246942
AKOS002391575
FT-0646178
A824675
3,5-Dichloro-4-methylbenzoicacid
39652-34-1
CS-W018861
3,5-Dichloro-p-toluic acid
3 pound not5-Dichloro-4-methylbenzoic acid
DTXSID00594873
SCHEMBL1573147
B62M02SOG3
p-Toluic acid, 3,5-dichloro-
Benzoic acid, 3,5-dichloro-4-methyl-
AM82914
3,5-Dichloro-4-methyl-benzoic acid
GBEJAEMDMASLJL-UHFFFAOYSA-N
CL8057
AC-29260
AS-18337
NS00067859
UNII-B62M02SOG3
3,5-Dichloro-4-methylbenzoic acid
J-511294
KSC495Q5L
STL553957
3,5-Dichloro-4-methyl benzoic acid

MDL Number

MFCD09743850

Customs Code

2916399090

FAQ

What is 3,5-Dichloro-4-methylbenzoic acid (CAS: 39652-34-1)?

3,5-Dichloro-4-methylbenzoic acid is an organic compound with the molecular formula C8H5Cl2O2. It is a white to off-white solid with a pungent odor. This compound is soluble in water and has a melting point of 115-117°C. It is often used in the synthesis of pharmaceuticals and as an intermediate in organic chemistry.

What are the main uses of 3,5-Dichloro-4-methylbenzoic acid (CAS: 39652-34-1)?

3,5-Dichloro-4-methylbenzoic acid is primarily used as an intermediate in the production of pharmaceuticals, particularly in the synthesis of drugs. It also serves as a reagent in organic synthesis and is occasionally used in the formulation of certain industrial and agricultural chemicals.

Is 3,5-Dichloro-4-methylbenzoic acid (CAS: 39652-34-1) safe?

3,5-Dichloro-4-methylbenzoic acid is generally considered safe under controlled conditions, but it is corrosive and may cause skin and eye irritation. Proper handling should include wearing appropriate personal protective equipment such as gloves and goggles. It is also important to avoid inhalation and ingestion. Storage in a well-ventilated area away from heat sources is recommended.

How should 3,5-Dichloro-4-methylbenzoic acid (CAS: 39652-34-1) be stored?

3,5-Dichloro-4-methylbenzoic acid should be stored in a cool, dry place away from direct sunlight and heat sources. It is best kept in a tightly sealed container to prevent moisture absorption. The storage area should be well-ventilated to minimize the risk of inhalation exposure. Handling should be done with care to avoid contact with skin and eyes.