3-(3-furyl)prop-2-enoic acid

Basic Information

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CAS Number

39244-10-5

Molecular Formula

C7H6O3

Molecular Weight

138.12 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

Basic Physical Properties

Melting Point

153-155 ºC

Boiling Point

261.4±15.0 ºC (760 Torr),

Water Solubility

Sparingly soluble in water (0.56 g/L at 25°C).

Flash Point

111.9±20.4 ºC,

SMILES

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C1=COC=C1C=CC(=O)O

InChI

InChI=1S/C7H6O3/c8-7(9)2-1-6-3-4-10-5-6/h1-5H,(H,8,9)/b2-1+

InChIKey

JHAPZUDWRRBZHZ-OWOJBTEDSA-N

LogP

1.3774

Topological Polar Surface Area

50.44 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

151

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

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

Synonyms & References

English

InChI=1/C7H6O3/c8-7(9)2-1-6-3-4-10-5-6/h1-5H,(H,8,9)/b2-1
(E)-3-(3-Furyl)prop-2-enoic acid
(2E)-3-(3-furanyl)-2-propenoic acid
AMY5386
(E)-Furan-3-acrylic Acid
CHEMBL298683
AS-58928
J-640465
(E)-3-Furan-3-yl-acrylic acid
AKOS000476896
2-propenoic acid, 3-(3-furanyl)-, (2E)-
BDBM50342414
(e)-3-(furan-3-yl)acrylic acid
3-(3-Furyl)acrylic acid
J-200118
3-(Furan-3-yl)acrylicacid
DTXSID80901228
3-(3-furanyl)-2-propenoic acid
trans-3-(furan-3-yl)acrylic acid
SCHEMBL564789
(E)-3-(furan-3-yl)prop-2-enoic acid
E-3-(3-furyl)propenoicacid
TRANS-3-FURANACRYLIC ACID, 97%
MFCD00075074
81311-95-7
(2E)-3-(FURAN-3-YL)PROP-2-ENOIC ACID
(2E)-3-(3-furyl)prop-2-enoic acid
3-(Furan-3-yl)acrylic acid
A928637
J-800088
DELAPRILHCL

MDL Number

MFCD00075074

Customs Code

2932190090

FAQ

What regulatory guidelines apply to 3-(3-furyl)prop-2-enoic acid (CAS: 39244-10-5)?

3-(3-furyl)prop-2-enoic acid (CAS: 39244-10-5) falls under the scope of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) and is classified as a flammable liquid. It is also subject to the REACH regulations in the European Union, which require manufacturers and importers to register substances to ensure their safe handling and use. In the United States, the Environmental Protection Agency (EPA) and the Food and Drug Administration (FDA) may also have specific requirements for this compound, including reporting and documentation for hazardous substances.

Are there alternatives to 3-(3-furyl)prop-2-enoic acid (CAS: 39244-10-5) in synthesis?

There are several alternatives to 3-(3-furyl)prop-2-enoic acid (CAS: 39244-10-5) in synthesis, including similar furan derivatives such as 3-(4-furyl)prop-2-enoic acid and derivatives of other heterocyclic compounds. Isomers like cis/trans isomers may also be available, and synthetic routes can be optimized using alternative reagents such as acrylates or other enolizable carbonyl compounds.

What is the market or research trend for 3-(3-furyl)prop-2-enoic acid (CAS: 39244-10-5)?

The market for 3-(3-furyl)prop-2-enoic acid (CAS: 39244-10-5) is driven by its application in the pharmaceutical and agrochemical industries. Recent research trends focus on its use in drug design and development, particularly as a potential intermediate in the synthesis of novel therapeutic agents. The compound is also studied for its biological activity, including its potential as a fungicide or herbicide. Demand is expected to grow as new applications are discovered.

How should waste containing 3-(3-furyl)prop-2-enoic acid (CAS: 39244-10-5) be handled?

Waste containing 3-(3-furyl)prop-2-enoic acid (CAS: 39244-10-5) should be collected in appropriate containers and stored under controlled conditions to prevent any accidental releases. Disposal should be carried out through a licensed waste management facility that is capable of handling hazardous waste. Incineration is a common method for disposing of this waste, provided it is done in an appropriately designed and operated incinerator. Environmental precautions include ensuring that emissions are properly controlled and that the waste is not released into the environment without proper treatment.