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HomeProduct name list4-Formylbenzoic acid

4-Formylbenzoic acid

Synonym(s):4-Carboxybenzaldehyde;4-Formylbenzoic acid, 4-Carboxybenzaldehyde;Benzaldehyde-4-carboxylic acid;Terephthalaldehydic acid

  • CAS NO.:619-66-9
  • Empirical Formula: C8H6O3
  • Molecular Weight: 150.13
  • MDL number: MFCD00006951
  • EINECS: 210-607-4
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-11-19 23:02:33
4-Formylbenzoic acid Structural

What is 4-Formylbenzoic acid?

Description

4-Formylbenzoic acid, also known as 4-Carboxybenzaldehyde, is a white crystalline powder with a molecular formula of C8H5O3. It is insoluble in water but can be dissolved in DMF. This compound has the ability to undergo esterification reactions and alcohol-aldehyde condensation reactions with alcohols. 4-Formylbenzoic acid is a metabolite of aldehydes. It is an important intermediate for organic synthesis, widely used in medicine, pesticides, coatings, liquid crystal raw materials, polymer materials and perfume raw materials.

Chemical properties

Yellowish fine crystalline powder

The Uses of 4-Formylbenzoic acid

4-Formylbenzoic acid is usually used as reagent during esterification of 2,2,6,6-tetramethyl-4-oxopiperidinyl-1-oxyl to yield 4-hydroxy-2,2,6,6-tetramethylpiperidine-1-oxyl 4-formylbenzoate.

The Uses of 4-Formylbenzoic acid

4-Carboxybenzaldehyde is an important intermediate in the synthesis of terepthalic acid. It has been used as reagent during esterification of 2,2,6,6-tetramethyl-4-oxopiperidinyl-1-oxyl to yield 4-hydroxy-2,2,6,6-tetramethylpiperidine-1-oxyl 4-formylbenzoate.

Definition

ChEBI: 4-formylbenzoic acid is a member of the class of benzoic acids that is benzoic acid substituted by a formyl group at position 4. It has a role as a plant metabolite. It is a member of benzaldehydes, a member of benzoic acids and a monocarboxylic acid. It is a conjugate acid of a 4-formylbenzoate.

General Description

4-Formylbenzoic acid is an important intermediate in the synthesis of terepthalic acid. It reacts with barium carbonate to yield two-dimensional barium(II) coordination polymer.

Properties of 4-Formylbenzoic acid

Melting point: 247 °C(lit.)
Boiling point: 231.65°C (rough estimate)
Density  1.2645 (rough estimate)
refractive index  1.4500 (estimate)
storage temp.  Store below +30°C.
solubility  DMSO
pka 3.77(at 25℃)
form  Fine Crystalline Powder
color  Yellow
PH 3.5 (1g/l, H2O, 20℃)
Water Solubility  Soluble in water, methanol, DMSO, ether, and chloroform.
Sensitive  Air Sensitive
λmax 298nm(Hexane)(lit.)
BRN  471734
CAS DataBase Reference 619-66-9(CAS DataBase Reference)
NIST Chemistry Reference Benzoic acid, 4-formyl-(619-66-9)
EPA Substance Registry System Benzoic acid, 4-formyl- (619-66-9)

Safety information for 4-Formylbenzoic acid

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405:Store locked up.

Computed Descriptors for 4-Formylbenzoic acid

InChIKey GOUHYARYYWKXHS-UHFFFAOYSA-N

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