CHEMPACIFIC 41257

Name	3-Formylbenzoic acid
Synonyms	3-formylbenzoate CHEMPACIFIC 41257 3-formyl-benzoicaci TIMTEC-BB SBB008438 RARECHEM AL BO 0010 M-FORMYLBENZOIC ACID 3-FORMYLBENZOIC ACID 3-Formylbenzoic acid 3-Formyl-Benzoic Acid 3-CARBOXYBENZALDEHYDE 3-Carboxybenzaldehyde ISOPHTHALALDEHYDIC ACID Benzoic acid, 3-formyl-
CAS	619-21-6
EINECS	210-585-6
InChI	InChI=1/C8H6O3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5H,(H,10,11)/p-1
InChIKey	UHDNUPHSDMOGCR-UHFFFAOYSA-N

Molecular Formula	C8H6O3
Molar Mass	150.13
Density	1.2645 (rough estimate)
Melting Point	173-175°C(lit.)
Boling Point	231.65°C (rough estimate)
Flash Point	168.6°C
Solubility	Soluble in methanol (100 mg/mL) gives a clear to slightly hazy, colorless to very faintly brown.
Vapor Presure	6.11E-05mmHg at 25°C
Appearance	White to bright yellow powder
Color	White to light yellow
BRN	2206413
pKa	3.84(at 25℃)
Storage Condition	Keep in dark place,Sealed in dry,Room Temperature
Sensitive	Air Sensitive
Refractive Index	1.4500 (estimate)
MDL	MFCD00039575
Physical and Chemical Properties	3-carboxyl benzaldehyde is an aldehyde derivative, melting point 173-175°C(lit.), the boiling point was 231.65 ° C. (roughestimate), the density was 1.2645(roughestimate), the refractive index was 1.4500(estimate), and the acidity coefficient (pKa) was 3.84(at 25 ° C.). Its chemical structure is a conjugated system composed of benzene ring and benzaldehyde group. The aldehyde group is an active group and can participate in a variety of chemical reactions, such as oxidation, reduction, condensation and other reactions of the aldehyde group; In addition, the benzene ring can also occur electrophilic substitution reaction. Thus, 3-carboxybenzaldehyde is an important organic intermediate for the construction of complex compounds.

Hazard Symbols	Xi - Irritant
Risk Codes	36/37/38 - Irritating to eyes, respiratory system and skin.
Safety Description	S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S37/39 - Wear suitable gloves and eye/face protection S36 - Wear suitable protective clothing.
WGK Germany	3
TSCA	Yes
HS Code	29183000

EPA chemical substance information	information provided by: ofmpeb.epa.gov (external link)
Application	3-carboxybenzaldehyde as a very important intermediate in organic synthesis, because of its unique chemical structure, it has shown important application value and broad development prospects in the field of organic synthesis. It has been widely used in many fields such as the construction of complex structure compound skeleton, the synthesis of drug intermediates, the synthesis of natural products and the development of fluorescent materials.
synthesis method	methyl 3-formylbenzoate (6.15g,37.46 mmol) in methanol (61.5 mL) and 2 M aqueous sodium hydroxide solution (37.5 mL,75 mmol) in a mixture of r.t. After stirring for 1 h, thin layer chromatography (petroleum ether: ethyl acetate = 1:1) showed that the reaction was complete. The reaction mixture was acidified to pH = 2 with 80 mL 1 M aqueous hydrochloric acid and the resulting mixture was concentrated in vacuo. The residue was extracted three times with ethyl acetate, the combined organic layers were washed with brine, dried over anhydrous sodium sulfate, and the solvent was removed in vacuo to give 3-formylbenzoic acid. The yield was 5.59g,99.5%, and 3-carboxybenzaldehyde was obtained as a white solid. Figure 3-structural formula of carboxybenzaldehyde

Last Update：2024-04-09 20:52:54

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