619-66-9
Product Name:
4-Formylbenzoic acid
Formula:
C8H6O3
Synonyms:
4-Carboxybenzaldehyde;4-Formylbenzoic acid, 4-Carboxybenzaldehyde;Benzaldehyde-4-carboxylic acid;Terephthalaldehydic acid
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | White powder; [MSDSonline] |
|---|---|
| Boiling Point | SUBLIMES BEFORE REACHING BOILING POINT |
| Melting Point | 256 °C |
| Solubility | SLIGHTLY SOLUBLE IN HOT WATER; VERY SOLUBLE IN ALCOHOL; SOLUBLE IN ETHER AND IN CHOLROFORM |
| Vapor Pressure | 0.000375 [mmHg] |
| Chemical Classes | Other Classes -> Benzoic Acid Derivatives |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 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
| Molecular Weight | 150.13 g/mol |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 150.031694049 g/mol |
| Monoisotopic Mass | 150.031694049 g/mol |
| Topological Polar Surface Area | 54.4 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 157 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
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.