3-Bromo-4-pivalamidobenzoic acid

Basic Information

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CAS Number

139058-18-7

Molecular Formula

C12H14BrNO3

Molecular Weight

300.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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CC(C)(C)C(=O)NC1=C(C=C(C=C1)C(=O)O)Br

InChI

InChI=1S/C12H14BrNO3/c1-12(2,3)11(17)14-9-5-4-7(10(15)16)6-8(9)13/h4-6H,1-3H3,(H,14,17)(H,15,16)

InChIKey

NAOQMMQCVVKTEJ-UHFFFAOYSA-N

LogP

3.131900000000001

Topological Polar Surface Area

66.4 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

311

Synonyms & References

English

3-Bromo-4-pivalamidobenzoic acid
AK133937
BC889493
ST2417538
AX8255488
3-Bromo-4-(2,2-dimethylpropanamido)benzoic acid
3-bromo-4-(2,2-dimethylpropanoylamino)benzoic acid
Benzoic acid, 3-bromo-4-[(2,2-dimethyl-1-oxopropyl)amino]-
CS-0154952
139058-18-7
DTXSID10577354
DS-4732
A886149
3-Bromo-4-pivalamidobenzoicacid
AKOS013639160
3-bromo-4-pivalamidobenzoic acid
F19847
MFCD11113010
3-bromo-4-(2,2-dimethylpropanoylamino)benzoic acid;

MDL Number

MFCD11113010

FAQ

What is 3-Bromo-4-pivalamidobenzoic acid (CAS: 139058-18-7)?

3-Bromo-4-pivalamidobenzoic acid is an organic compound with the CAS number 139058-18-7. It has the chemical formula C13H13BrNO2 and is characterized by its acidic nature and bromine content. This compound is used in pharmaceuticals and research for its specific chemical properties.

What are the main uses of 3-Bromo-4-pivalamidobenzoic acid (CAS: 139058-18-7)?

3-Bromo-4-pivalamidobenzoic acid is primarily used in the pharmaceutical industry for the synthesis of medicinal compounds. It also finds applications in research for developing new drugs and in laboratory settings for various chemical reactions and tests.

Is 3-Bromo-4-pivalamidobenzoic acid (CAS: 139058-18-7) safe?

3-Bromo-4-pivalamidobenzoic acid is generally safe under proper handling conditions. However, it is important to follow safety guidelines, including wearing appropriate personal protective equipment (PPE) and ensuring proper ventilation. Avoid contact with skin and eyes, and handle in a well-ventilated area.

How should 3-Bromo-4-pivalamidobenzoic acid (CAS: 139058-18-7) be stored?

3-Bromo-4-pivalamidobenzoic 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 in a well-ventilated area and use appropriate storage containers to maintain its stability and safety.