Chemical Property of 4-(Methoxycarbonyl)benzoic acid
Chemical Property:
- Appearance/Colour:white to off-white powder
- Vapor Pressure:6.13E-05mmHg at 25°C
- Melting Point:220-223 °C(lit.)
- Refractive Index:1.4209 (estimate)
- Boiling Point:331.6 °C at 760 mmHg
- PKA:3.77±0.10(Predicted)
- Flash Point:136 °C
- PSA：63.60000
- Density:1.288 g/cm3
- LogP:1.17140
- Storage Temp.:Store below +30°C.
- Solubility.:chloroform/methanol: soluble50mg/mL, clear, colorless (1:1)
- Water Solubility.:Slightly soluble in water. Also soluble in methanol, benzene and ether.
- XLogP3:1.9
- Hydrogen Bond Donor Count:1
- Hydrogen Bond Acceptor Count:4
- Rotatable Bond Count:3
- Exact Mass:180.04225873
- Heavy Atom Count:13
- Complexity:204
- Purity/Quality:
-
98% min *data from raw suppliers
mono-Methyl terephthalate *data from reagent suppliers
Safty Information:
- Pictogram(s):
Xi
- Hazard Codes:Xi
- Statements:
36/37/38
- Safety Statements:
26-36-37/39
- MSDS Files:
-
SDS file from LookChem
Useful:
- Chemical Classes:Other Classes -> Other Aromatic Compounds
- Canonical SMILES:COC(=O)C1=CC=C(C=C1)C(=O)O
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Description
The mono-methyl terephthalate is a kind of phthalate ester. It can be obtained during the hydrolytical transformation process of dimethyl terephthalate (DMT) by some microbes such as Rhodococcus rubber and Pasteurella multocida. It is also the intermediate during the manufacturing of dimethyl terephthalate, terephthalic acid and some other derivatives. As the ester form of terephthalate, it is widely used for the manufacturing of plastics, paints, synthetic fibers and polyester.
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Uses
mono-Methyl Terephthalate is used in the synthesis of Hepatits C antiviral activity. Also used in the design and preparation of benzamide derivatives as BRAFV600E inhibitors, which if mutated, can influence malignancies and melanomas.
