Dimethyl 4-fluorophthalate

Basic Information

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CAS Number

110706-50-8

Molecular Formula

C10H9FO4

Molecular Weight

212.18 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

Basic Physical Properties

Boiling Point

251.994 °C at 760 mmHg

Density

1.252

Flash Point

103.127 °C

SMILES

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

InChI

InChI=1S/C10H9FO4/c1-14-9(12)7-4-3-6(11)5-8(7)10(13)15-2/h3-5H,1-2H3

InChIKey

UPXQAPWOMHKSBU-UHFFFAOYSA-N

LogP

1.3989

Topological Polar Surface Area

52.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

254

Synonyms & References

English

UPXQAPWOMHKSBU-UHFFFAOYSA-N
Dimethyl 4-fluorophthalate
Dimethyl 4-fluorobenzene-1,2-dicarboxylate
BS-14364
SY317412
dimethyl 4-fluoro-1,2-benzenedicarboxylate
CS-0169383
DTXSID90628010
MFCD09263469
Dimethy-4-fluorophthalate
SCHEMBL2708451
D81877
FT-0659870
AMY9251
Dimethyl-4-fluorophthalate
AKOS015890214
110706-50-8
1,2-BENZENEDICARBOXYLIC ACID,4-FLUORO-,1,2-DIMETHYL ESTER
4-fluorophthalic acid dimethyl ester
DIMETHY-4-FLUOROPHTHALATE
Dimethyl4-fluorophthalate
4-fluorophthalic acid dimethyl ester

MDL Number

MFCD09263469

Customs Code

2917399090

FAQ

What are the physical and chemical properties of Dimethyl 4-fluorophthalate (CAS: 110706-50-8)?

Dimethyl 4-fluorophthalate (CAS: 110706-50-8) is a colorless, clear liquid with a molecular weight of 216.16 g/mol. It has a melting point of -23°C and a boiling point of 215°C. This compound is soluble in water and a variety of organic solvents. It is moderately reactive and can form ester bonds under certain conditions. It is generally stable but should be stored away from strong acids and bases.

How is Dimethyl 4-fluorophthalate (CAS: 110706-50-8) typically synthesized?

Dimethyl 4-fluorophthalate (CAS: 110706-50-8) is typically synthesized by the reaction of 4-fluorophthalic anhydride with dimethyl alcohol in the presence of a suitable catalyst such as sulfuric acid or p-toluenesulfonic acid. The reaction is carried out under reflux conditions, and the product is purified by recrystallization or distillation to obtain a high-purity product with a yield of around 85-90%.

What industries use Dimethyl 4-fluorophthalate (CAS: 110706-50-8)?

Dimethyl 4-fluorophthalate (CAS: 110706-50-8) is used in various industries, including pharmaceuticals, where it serves as a precursor in the synthesis of certain drugs. It is also used in the polymer industry as a plasticizer. Additionally, it finds applications in the production of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling Dimethyl 4-fluorophthalate (CAS: 110706-50-8)?

When handling Dimethyl 4-fluorophthalate (CAS: 110706-50-8), it is important to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. This compound should be handled in a fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate absorbent materials, and the area should be flushed with water. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.