3-(Dimethylamino)benzoic acid

Basic Information

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CAS Number

99-64-9

Molecular Formula

C9H11NO2

Molecular Weight

165.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

151.0 to 155.0 deg-C

Boiling Point

293.03°C (rough estimate)

Density

1.1603 (rough estimate)

Water Solubility

Soluble in methanol (50 mg/ml). Insoluble in water.

Flash Point

149.6°C

Refractive Index

1.5200 (estimate)

SMILES

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CN(C)C1=CC=CC(=C1)C(=O)O

InChI

InChI=1S/C9H11NO2/c1-10(2)8-5-3-4-7(6-8)9(11)12/h3-6H,1-2H3,(H,11,12)

InChIKey

NEGFNJRAUMCZMY-UHFFFAOYSA-N

LogP

1.4507999999999999

Topological Polar Surface Area

40.540000000000006 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

168

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

m-(N,N'-Dimethylamino)benzoic Acid
3-Dimethylaminobenzoic acid
N,N-Dimethyl-m-aminobenzoic acid
A846058
Z104476962
3-(Dimethylamino)benzoic acid
CS-W018494
3-(dimethylamino) benzoic acid
Benzoic acid, m-(dimethylamino)-
M47AQ3FS7E
AC-2474
TS-02213
NSC7197
EN300-20121
D0646
Q63409854
EINECS 202-775-2
3-N,N-Dimethylaminobenzoic acid
MFCD00002497
NSC 7197
3-Dimethylamino-benzoic acid
m-(Dimethylamino)benzoic acid
NSC-7197
3-(dimethylamino)benzoate
AKOS000119534
3-(n,n-dimethylamino)benzoic acid
FT-0615605
3-(Dimethylamino)benzoic acid, >=97% (HPLC)
W-100025
D70678
NS00022928

MDL Number

MFCD00002497

Customs Code

2922491990

FAQ

What is 3-(Dimethylamino)benzoic acid (CAS: 99-64-9)?

3-(Dimethylamino)benzoic acid (CAS: 99-64-9) is a white crystalline organic compound with the chemical formula C8H11NO2. It contains a benzoic acid group attached to a dimethylamino substituent, making it a derivative of aniline. The compound is known for its solubility in water and organic solvents, and it exhibits basic properties due to the amino group. It is commonly used in chemical synthesis and pharmaceutical applications.

What are the main uses of 3-(Dimethylamino)benzoic acid (CAS: 99-64-9)?

3-(Dimethylamino)benzoic acid (CAS: 99-64-9) is primarily used in pharmaceuticals as an intermediate for synthesizing drugs, including antihistamines and antidepressants. It also serves in industrial applications, such as dye production and polymer synthesis. In research, it functions as a reagent for organic reactions. Additionally, it may be used in food additives and as a component in specialty chemicals, though its primary focus remains in medicinal and industrial fields.

Is 3-(Dimethylamino)benzoic acid (CAS: 99-64-9) safe?

3-(Dimethylamino)benzoic acid (CAS: 99-64-9) is generally considered safe when handled properly. It is not classified as highly toxic but may cause mild irritation to the skin, eyes, or respiratory system. Safety precautions include wearing gloves, goggles, and a lab coat, and ensuring adequate ventilation. It should be stored in a sealed container to prevent exposure, and safety data sheets (SDS) should be consulted for specific guidelines.

How should 3-(Dimethylamino)benzoic acid (CAS: 99-64-9) be stored?

3-(Dimethylamino)benzoic acid (CAS: 99-64-9) should be stored in a cool, dry place, away from light and moisture. It is stable at room temperature but may degrade if exposed to high humidity or heat. Use airtight containers made of glass or HDPE to maintain purity. Avoid contact with incompatible materials and ensure storage areas are well-ventilated to maintain safety and product integrity.