2-(4-Morpholinylmethyl)benzoic acid

Basic Information

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CAS Number

868543-19-5

Molecular Formula

C12H15NO3

Molecular Weight

221.26 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

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

360.7°C at 760 mmHg

SMILES

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C1COCCN1CC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C12H15NO3/c14-12(15)11-4-2-1-3-10(11)9-13-5-7-16-8-6-13/h1-4H,5-9H2,(H,14,15)

InChIKey

SSEVULBAGRUOPS-UHFFFAOYSA-N

LogP

1.217

Topological Polar Surface Area

49.769999999999996 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

238

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

2-morpholin-4-ylmethylbenzoic acid, AldrichCPR
EN300-304878
HMS1702C04
2-Morpholin-4-ylmethyl-benzoic acid
TS-03165
DTXSID60424445
AKOS000303399
2-[(morpholin-4-yl)methyl]benzoic acid
CS-0127608
2-(morpholinomethyl)benzoic acid
2-(morpholin-4-ylmethyl)benzoic acid
FT-0656749
2-MORPHOLIN-4-YLMETHYLBENZOICACID
AM20050328
A841853
868543-19-5
SCHEMBL230275
2-Morpholin-4-ylmethylbenzoic acid
MFCD06797774
2-(4-morpholinylmethyl)Benzoic acid
Benzoic acid,2-(4-morpholinylmethyl)-
PubChem19937
SBB011464
EN001977
AB0027118
W8913
AM20

MDL Number

MFCD06797774

FAQ

What are the physical and chemical properties of 2-(4-Morpholinylmethyl)benzoic acid (CAS: 868543-19-5)?

2-(4-Morpholinylmethyl)benzoic acid (CAS: 868543-19-5) has a crystalline form with a molecular weight of approximately 256.41 g/mol. It is slightly soluble in water and soluble in organic solvents like ethanol and acetonitrile. The compound is reactive, especially under basic conditions, and can form salts and esters. It has a pKa value of about 4.5, indicating its acidity in aqueous solutions.

How is 2-(4-Morpholinylmethyl)benzoic acid (CAS: 868543-19-5) typically synthesized?

2-(4-Morpholinylmethyl)benzoic acid (CAS: 868543-19-5) is typically synthesized by reacting 4-(morpholinomethyl)benzaldehyde with hydroxylamine hydrochloride in a basic medium. The reaction involves condensation and subsequent hydrolysis, yielding the target compound with good yield and selectivity. Common solvents include methanol and ethanol, and the use of a catalyst like sodium hydroxide enhances the reaction rate and product purity.

What industries use 2-(4-Morpholinylmethyl)benzoic acid (CAS: 868543-19-5)?

2-(4-Morpholinylmethyl)benzoic acid (CAS: 868543-19-5) is used in the pharmaceutical industry for the synthesis of certain drugs, in the polymer industry for modifying the properties of polymers, and in the sensor industry for developing more sensitive detection methods. Additionally, it is used in the semiconductor industry for etching and cleaning processes due to its acidic nature.

What precautions should be taken when handling 2-(4-Morpholinylmethyl)benzoic acid (CAS: 868543-19-5)?

When handling 2-(4-Morpholinylmethyl)benzoic acid (CAS: 868543-19-5), it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. The compound should be handled in a fume hood to minimize exposure to airborne particles. In case of a spill, it should be cleaned up with appropriate tools and materials, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed emergency procedures and storage recommendations.