4-(Methoxycarbonyl)benzoic acid

Basic Information

View in Editor

CAS Number

1679-64-7

Molecular Formula

C9H8O4

Molecular Weight

180.16 g/mol

Basic Physical Properties

Melting Point

221.0 to 224.0 deg-C

Boiling Point

331.6°C at 760 mmHg

Water Solubility

Slightly soluble in water. Also soluble in methanol, benzene and ether.

Flash Point

136℃

Solubility

chloroform/methanol: soluble50mg/mL, clear, colorless (1:1)

Refractive Index

1.4209 (estimate)

SMILES

View in Editor

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

InChI

InChI=1S/C9H8O4/c1-13-9(12)7-4-2-6(3-5-7)8(10)11/h2-5H,1H3,(H,10,11)

InChIKey

REIDAMBAPLIATC-UHFFFAOYSA-N

LogP

1.1714

Topological Polar Surface Area

63.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

204

Safety Information

View Safety Information

GHS Hazard Pictograms

H315

H319

H335

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

HYDROGEN METHYL TEREPHTHALATE
1,4-Benzenedicarboxylic acid, 1-methyl ester
P-(METHOXYCARBONYL)BENZOIC ACID
UNII-G2T5130M28
4Methoxycarbonylbenzenecarboxylic acid
doi:10.14272/REIDAMBAPLIATC-UHFFFAOYSA-N.1
terepthalic acid monomethyl ester
1,4-Benzenedicarboxylic acid, methyl ester
AB01331009-02
InChI=1/C9H8O4/c1-13-9(12)7-4-2-6(3-5-7)8(10)11/h2-5H,1H3,(H,10,11
P-CARBOMETHOXYBENZOIC ACID
P-CARBOXY-.ALPHA.-TOLUIC ACID
1679-64-7
DTXCID107425
terephtalic acid monomethyl ester
HSDB 5849
Methyl 4-carboxybenzoate
BCP08782
terphthalic acid monomethyl ester
4-(Carbomethoxy)benzoic acid
NS00025513
4-Methoxycarbonyl benzoic acid
p-Carboxy-alpha-toluic acid
Terephthalic acid monomethyl ester
Methyl hydrogen terephthalate
4-[(methyloxy)carbonyl]benzoic acid
METHYL P-PHTHALATE
terephthalic acid methylester
4-Methoxycarbonylbenzenecarboxylic acid
Terephthalic acid, monomethyl ester
AC-13542

MDL Number

MFCD00002557

Customs Code

2917399090

FAQ

What is 4-(Methoxycarbonyl)benzoic acid (CAS: 1679-64-7)?

4-(Methoxycarbonyl)benzoic acid, with the CAS number 1679-64-7, is an organic compound containing a benzoic acid group substituted with a methoxycarbonyl group at the 4th position. It is a white solid with moderate solubility in water and is commonly used in chemical synthesis. The compound has a molecular formula of C10H10O4 and exhibits typical carboxylic acid properties, including acidity and reactivity in polar solvents.

What are the main uses of 4-(Methoxycarbonyl)benzoic acid (CAS: 1679-64-7)?

4-(Methoxycarbonyl)benzoic acid is widely used in pharmaceutical research as an intermediate in the synthesis of various drugs. It also finds applications in polymer chemistry and as a component in some food additives. Its utility extends to research in organic chemistry for developing new compounds and materials. This versatile compound is essential in multiple industrial and scientific contexts.

Is 4-(Methoxycarbonyl)benzoic acid (CAS: 1679-64-7) safe?

4-(Methoxycarbonyl)benzoic acid is generally considered safe when handled properly, but it requires caution due to its potential to cause skin and eye irritation. It is advisable to use personal protective equipment such as gloves and goggles. Safety data sheets (SDS) should be consulted for detailed handling and disposal guidelines. Proper ventilation is recommended during use to minimize exposure.

How should 4-(Methoxycarbonyl)benzoic acid (CAS: 1679-64-7) be stored?

4-(Methoxycarbonyl)benzoic acid should be stored in a cool, dry, and well-ventilated area away from light. It is best kept in a sealed container to prevent moisture absorption and maintain stability. The recommended storage temperature is between 2°C and 8°C. Avoid exposure to strong acids or bases to ensure chemical integrity and safety.