3-Fluoro-5-(methoxycarbonyl)benzoic acid

Basic Information

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CAS Number

660416-36-4

Molecular Formula

C9H7FO4

Molecular Weight

198.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

SMILES

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COC(=O)C1=CC(=CC(=C1)C(=O)O)F

InChI

InChI=1S/C9H7FO4/c1-14-9(13)6-2-5(8(11)12)3-7(10)4-6/h2-4H,1H3,(H,11,12)

InChIKey

SFUQWJIUIYAPDJ-UHFFFAOYSA-N

LogP

1.3105000000000002

Topological Polar Surface Area

63.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

241

Synonyms & References

English

3-Fluoro-5-(methoxycarbonyl)benzoic Acid
5-fluoro-isophthalic acid monomethyl ester
5-FLUOROISOPHTHALIC ACID MONOMETHYL ESTER
AB45663
AG-G-48651
CTK5C3405
KB-236147
MONO-METHYL 5-FLUOROISOPHTHALATE
SureCN1544732
SFUQWJIUIYAPDJ-UHFFFAOYSA-N
5881AJ
3-fluoro-5-methoxycarbonylbenzoic acid
5-Fluoroisophthalic acid monomethylester
3-Fluoro-5-(methoxycarbonyl)benzoicAcid
SY026333
Z1198179705
660416-36-4
CS-11604
AKOS006290725
DA-37348
3-FLUORO-5-(METHOXYCARBONYL)BENZOIC ACID
DTXSID10646574
EN300-379342
SCHEMBL1544732
MFCD08458981
AC1778
CS-0130325
AMY20287

MDL Number

MFCD08458981

FAQ

What regulatory guidelines apply to 3-Fluoro-5-(methoxycarbonyl)benzoic acid (CAS: 660416-36-4)?

3-Fluoro-5-(methoxycarbonyl)benzoic acid (CAS: 660416-36-4) falls under various regulatory guidelines including hazard communication (GHS) classification, REACH in the EU, and FDA/EPA regulations for safety, environmental protection, and handling. It is classified as a hazardous substance due to its reactivity and potential for skin and eye irritation. Detailed MSDS sheets are required for proper handling and storage.

Are there alternatives to 3-Fluoro-5-(methoxycarbonyl)benzoic acid (CAS: 660416-36-4) in synthesis?

Alternatives to 3-Fluoro-5-(methoxycarbonyl)benzoic acid include 3-chloro-5-(methoxycarbonyl)benzoic acid and 3-methoxy-5-(methoxycarbonyl)benzoic acid. These can be used as substitutes depending on the specific reaction conditions. Common alternative reagents like 4-fluorobenzoic acid or 5-chlorobenzoic acid can also serve as viable alternatives in certain syntheses.

What is the market or research trend for 3-Fluoro-5-(methoxycarbonyl)benzoic acid (CAS: 660416-36-4)?

The market for 3-Fluoro-5-(methoxycarbonyl)benzoic acid (CAS: 660416-36-4) is growing due to its use in pharmaceuticals and agrochemicals. Research trends focus on its synthesis and application in developing novel drugs and pesticides. Price trends show stability with slight fluctuations depending on supply and demand in the pharmaceutical industry.

How should waste containing 3-Fluoro-5-(methoxycarbonyl)benzoic acid (CAS: 660416-36-4) be handled?

Waste containing 3-Fluoro-5-(methoxycarbonyl)benzoic acid (CAS: 660416-36-4) should be collected in appropriate containers and disposed of through professional waste disposal services. Incineration is a common method, adhering to local environmental regulations. Precautions include ensuring containment to prevent spillage, and following safety protocols to avoid exposure. Environmental protection measures include monitoring for residual contamination after disposal.