(2E)-3-[4-(1H-Imidazol-1-ylmethyl)phenyl]acrylic acid

Basic Information

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CAS Number

82571-53-7

Molecular Formula

C13H12N2O2

Molecular Weight

228.25 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

Melting Point

223-224°

Boiling Point

468 oC at 760 mmHg

Density

1.17

Flash Point

236.8 oC

Refractive Index

1.593

SMILES

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C1=CC(=CC=C1CN2C=CN=C2)C=CC(=O)O

InChI

InChI=1S/C13H12N2O2/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15/h1-8,10H,9H2,(H,16,17)/b6-5+

InChIKey

SHZKQBHERIJWAO-AATRIKPKSA-N

LogP

2.0291999999999994

Topological Polar Surface Area

55.120000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

283

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

(E)-3-(4-Imidazol-1-ylmethyl-phenyl)-acrylic acid
AB00514722_14
Ozagrel free acid
OZAGREL [MI]
(2E)-3-[4-(1H-IMIDAZOL-1-YLMETHYL)PHENYL]ACRYLIC ACID
Ozagrelum
LS-14195
Ozagrel,(S)
AB00514722_15
NS00068113
3-[4-(1H-IMIDAZOL-1-YLMETHYL)PHENYL]-2E-PROPENOIC ACID
(E)-3-(4-((1H-imidazol-1-yl)methyl)phenyl)
OZAGREL [MART.]
Ozagrel (INN)
L256JB984D
Cataclot (TN)
CHEBI:134938
(E)-3-(4-((1H-IMIDAZOL-1-YL)METHYL)PHENYL)ACRYLIC ACID
HMS3649M21
ozagrel
DB12017
MFCD00868231
SW197369-5
BDBM50017896
AC-2080
GTPL9866
Prestwick2_000979
SR-01000597793-8
OZAGREL [WHO-DD]
BRD-K53061490-003-03-0
Ozagrel, OKY-046

MDL Number

MFCD12547851

FAQ

What is (2E)-3-[4-(1H-Imidazol-1-ylmethyl)phenyl]acrylic acid (CAS: 82571-53-7)?

(2E)-3-[4-(1H-Imidazol-1-ylmethyl)phenyl]acrylic acid is a chemical compound with the CAS number 82571-53-7. It belongs to the class of acrylic acids and contains an imidazole group attached to a phenyl ring. This compound is typically used as an intermediate in the synthesis of pharmaceuticals and other organic compounds. It has a molecular formula of C12H11N2O2 and is known for its stability under controlled conditions.

What are the main uses of (2E)-3-[4-(1H-Imidazol-1-ylmethyl)phenyl]acrylic acid (CAS: 82571-53-7)?

(2E)-3-[4-(1H-Imidazol-1-ylmethyl)phenyl]acrylic acid (CAS: 82571-53-7) is primarily used in the pharmaceutical industry as a building block for drug development. It also finds applications in research for synthesizing various derivatives and in industrial processes for creating functional materials. Its unique chemical structure makes it valuable in the development of compounds with biological activity.

Is (2E)-3-[4-(1H-Imidazol-1-ylmethyl)phenyl]acrylic acid (CAS: 82571-53-7) safe?

The safety of (2E)-3-[4-(1H-Imidazol-1-ylmethyl)phenyl]acrylic acid (CAS: 82571-53-7) depends on its handling and exposure conditions. As a chemical intermediate, it may require proper protective equipment such as gloves and goggles when working with it. It is advisable to follow safety guidelines and regulations to ensure safe use in laboratory and industrial settings.

How should (2E)-3-[4-(1H-Imidazol-1-ylmethyl)phenyl]acrylic acid (CAS: 82571-53-7) be stored?

(2E)-3-[4-(1H-Imidazol-1-ylmethyl)phenyl]acrylic acid (CAS: 82571-53-7) should be stored in a cool, dry, and well-ventilated place, away from light. It is recommended to keep it in a sealed container to prevent moisture absorption. Storage conditions should maintain a temperature below 25°C and avoid exposure to air or moisture to ensure stability and prolong shelf life.