2-(1-Pyrrolidinyl)benzoic acid

Basic Information

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CAS Number

78648-27-8

Molecular Formula

C11H13NO2

Molecular Weight

191.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

351.9℃ at 760 mmHg

Flash Point

166.609℃

SMILES

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C1CCN(C1)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C11H13NO2/c13-11(14)9-5-1-2-6-10(9)12-7-3-4-8-12/h1-2,5-6H,3-4,7-8H2,(H,13,14)

InChIKey

SSALRORMOVCZTK-UHFFFAOYSA-N

LogP

1.9849999999999999

Topological Polar Surface Area

40.54 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

211

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

2-(pyrrolidin-1-yl)benzoic acid
SCHEMBL2492855
AKOS000260130
2-(1-pyrrolidinyl)benzoic acid
Benzoic acid, 2-(1-pyrrolidinyl)-
MFCD09035985
2-(pyrrolidin-1-yl)benzoicacid
SY003063
Benzoic acid,2-(1-pyrrolidinyl)-
Z335440996
EN300-77219
DTXSID20507541
2-Pyrrolidin-1-yl-benzoic acid
DS-17509
2-pyrrolidin-1-ylbenzoic acid
AB93280
SSALRORMOVCZTK-UHFFFAOYSA-N
CS-0156707
78648-27-8
A864998
2-(Pyrrolidin-1-yl)benzoic acid
2-(1-PYRROLIDINYL)BENZOIC ACID
2-pyrrolidin-1-ylbenzoic acid(SALTDATA: FREE)
PubChem19572
STL411911
KM1928
5312AJ
1-[4-(4-morpholinyl)phenyl]methanamine

MDL Number

MFCD09035985

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 2-(1-Pyrrolidinyl)benzoic acid (CAS: 78648-27-8)?

2-(1-Pyrrolidinyl)benzoic acid (CAS: 78648-27-8) is a white crystalline solid with a molecular weight of approximately 249.25 g/mol. It is sparingly soluble in water and readily soluble in organic solvents like methanol and ethanol. This compound is known for its weak acidic properties and can react with bases to form salts. It is stable under normal conditions but should be stored away from strong oxidizing agents.

How is 2-(1-Pyrrolidinyl)benzoic acid (CAS: 78648-27-8) typically synthesized?

2-(1-Pyrrolidinyl)benzoic acid is typically synthesized by reacting pyrrolidine with benzoic anhydride. The reaction involves the formation of an ester, followed by hydrolysis with an acid or base to yield the final product. The reaction is selective and provides a high yield, making it a common method for industrial production.

What industries use 2-(1-Pyrrolidinyl)benzoic acid (CAS: 78648-27-8)?

2-(1-Pyrrolidinyl)benzoic acid (CAS: 78648-27-8) is used in the pharmaceutical industry for synthesizing certain drugs due to its acidic properties and structural features. It also finds application in the polymer industry as a monomer precursor and in the development of sensors and semiconductors.

What precautions should be taken when handling 2-(1-Pyrrolidinyl)benzoic acid (CAS: 78648-27-8)?

When handling 2-(1-Pyrrolidinyl)benzoic acid (CAS: 78648-27-8), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be stored in a cool, dry place away from direct sunlight and strong oxidizing agents. In case of a spill, it should be handled according to the Material Safety Data Sheet (MSDS) guidelines. Always work in a fume hood to minimize inhalation exposure.