| Identification | More | [Name]
3-Carboxybenzaldehyde | [CAS]
619-21-6 | [Synonyms]
3-CARBOXYBENZALDEHYDE
3-FORMYLBENZOIC ACID
CHEMPACIFIC 41257
ISOPHTHALALDEHYDIC ACID
M-CARBOXYBENZALDEHYDE
M-FORMYLBENZOIC ACID
RARECHEM AL BO 0010
TIMTEC-BB SBB008438
3-formyl-benzoicaci
Benzoic acid, 3-formyl-(9CI)
META-CARBOXYBENZAIDEHYDE
3-Carboxybenzaldehyde, Isophthalaldehydic acid
3-Carboxybenzaldehyde ,98% | [EINECS(EC#)]
210-585-6 | [Molecular Formula]
C8H6O3 | [MDL Number]
MFCD00039575 | [Molecular Weight]
150.13 | [MOL File]
619-21-6.mol |
| Chemical Properties | Back Directory | [Appearance]
white to light yellow powder | [Melting point ]
173-175 °C(lit.)
| [Boiling point ]
231.65°C (rough estimate) | [density ]
1.2645 (rough estimate) | [refractive index ]
1.4500 (estimate) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [solubility ]
Soluble in methanol (100 mg/mL) gives a clear to slightly hazy, colorless to very faintly brown. | [form ]
Powder | [pka]
3.84(at 25℃) | [color ]
White to light yellow | [Sensitive ]
Air Sensitive | [Detection Methods]
HPLC,NMR,MS | [BRN ]
2206413 | [InChI]
InChI=1S/C8H6O3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5H,(H,10,11) | [InChIKey]
UHDNUPHSDMOGCR-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C1=CC=CC(C=O)=C1 | [CAS DataBase Reference]
619-21-6(CAS DataBase Reference) | [EPA Substance Registry System]
619-21-6(EPA Substance) |
| Questions And Answer | Back Directory | [Synthesis]
mixture of methyl 3-formylbenzoate (6.15 g, 37.46 mmol) in methanol (61.5 mL) and 2 M sodium hydroxide aqueous solution (37.5 mL, 75 mmol) was stirred at rt 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 of 1 M hydrochloric acid aqueous solution, and the resulting mixture was concentrated under vacuum. The residue was extracted three times with ethyl acetate, the bound organic layer was washed with brine, dried on anhydrous sodium sulfate, and the solvent was removed under vacuum to give 3-formylbenzoic acid. Yield: 5.59 g, 99.5%, to 3-carboxybenzaldehyde, a white solid.
 Figure 3. Structural formula of 3-carboxybenzaldehyde |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H315-H319-H335 | [Precautionary statements ]
P261-P264-P271-P280-P302+P352-P305+P351+P338 | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
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 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
white to light yellow powder | [Uses]
3-Formylbenzoic acid is used in the synthesis of bicyclic cis-2-azetidinone derivatives via Ugi 4-centre 3-component reaction, porphyrin capped with a steroidal superstructure bearing convergent hydroxy groups and 3-[(4-amino-1,2-dihydro-1-oxo-2-phenyl-1,2,4-triazolo[4,3-a]quinoxalin-6-yl)amino]methyl benzoic acid. | [Definition]
ChEBI: 3-Formylbenzoic acid is a member of benzoic acids. |
|
| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
|
| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
|