Products Categories
CAS No.: | 616-76-2 |
---|---|
Name: | 5-Formylsalicylic acid |
Article Data: | 20 |
Molecular Structure: | |
Formula: | C8H6O4 |
Molecular Weight: | 166.133 |
Synonyms: | 5-formyl-2-hydroxy-benzoic acid;5-formyl-2-hydroxy-benzoate;5-Formylsalicy Acid; |
EINECS: | 210-492-0 |
Density: | 1.482 g/cm3 |
Melting Point: | 250 °C (dec.)(lit.) |
Boiling Point: | 361.2 °C at 760 mmHg |
Flash Point: | 186.5 °C |
Appearance: | light beige fine crystalline powder |
Risk Codes: | 36/37/38 |
Safety: | 22-24/25 |
PSA: | 74.60000 |
LogP: | 0.90290 |
Conditions | Yield |
---|---|
With oxygen; cobalt(II) diacetate tetrahydrate; sodium hydroxide In ethylene glycol at 80℃; under 760.051 Torr; for 8h; | 89% |
With oxygen; sodium hydroxide In 2-methoxy-ethanol at 80℃; for 7h; chemoselective reaction; |
Conditions | Yield |
---|---|
With oxygen; potassium acetate; palladium diacetate; C19H24N2O; p-benzoquinone In N,N-dimethyl-formamide at 110℃; under 760.051 Torr; for 24h; regioselective reaction; | 73% |
hexamethylenetetramine
salicylic acid
A
3-formylsalicylic acid
B
2-hydroxy-5-formylbenzoic acid
Conditions | Yield |
---|---|
Stage #1: hexamethylenetetramine; salicylic acid With copper(I) oxide In trifluoroacetic acid for 5h; Duff Aldehyde Synthesis; Reflux; Stage #2: With hydrogenchloride In water at 20℃; for 1h; Concentration; Reagent/catalyst; regioselective reaction; | A 55.7% B 24.3% |
Stage #1: hexamethylenetetramine; salicylic acid With acetic acid for 2h; Reflux; Stage #2: With sulfuric acid for 1h; Reflux; | |
With acetic acid for 8h; Reflux; |
Conditions | Yield |
---|---|
With acetic acid for 8h; Temperature; Reflux; | 16% |
With water for 16h; Heating; | 12% |
In water at 100℃; for 16h; | 2.2 g |
In water at 100℃; for 16h; | 2.2 g |
hexamethylenetetramine
acetic acid
salicylic acid
A
3-formylsalicylic acid
B
2-hydroxy-5-formylbenzoic acid
Conditions | Yield |
---|---|
anschliessendes Behandeln mit wss. Salzsaeure; |
4-hydroxyisophthalic acid
A
2-hydroxy-5-formylbenzoic acid
B
5-formyl-4-hydroxy-isophthalic acid
Conditions | Yield |
---|---|
With potassium hydroxide; chloroform; water |
2-hydroxy-5-(2,2,2-trichloro-1-hydroxy-ethyl)-benzoic acid
2-hydroxy-5-formylbenzoic acid
Conditions | Yield |
---|---|
With potassium hydroxide | |
With sulfuric acid |
Conditions | Yield |
---|---|
With sodium hydroxide anschliessendes Erhitzen mit Natrium-<3-nitro-benzolsulfonat>; | |
in Gegenwart einer aromatischen Hydroxylaminverbindung und Zersetzung des Reaktionsproduktes; |
What can I do for you?
Get Best Price
The 5-Formylsalicylic acid , with cas registry number of 616-76-2, belongs to categories of Intermediates of Dyes and Pigments; Acids and Derivatives; Carbonyl Compounds; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzene derivatives. With appearance of light beige fine crystalline powder, it is also known as 2-Hydroxy-5-formylbenzoic acid . Both systematic name and IUPAC name are called the same which is 5-formyl-2-hydroxybenzoic acid .
Physical properties about this chemical are: (1) ACD/LogP: 2.25 ; (2) # of Rule of 5 Violations: 0 ; (3) ACD/LogD (pH 5.5): -0.82 ; (4) ACD/LogD (pH 7.4): -0.9 ; (5) ACD/BCF (pH 5.5): 1 ; (6) ACD/BCF (pH 7.4): 1 ; (7) ACD/KOC (pH 5.5): 1 ; (8) ACD/KOC (pH 7.4): 1 ; (9) #H bond acceptors: 4 ; (10) #H bond donors: 2 ; (11) #Freely Rotating Bonds: 3 ; (12) Index of Refraction: 1.669 ; (13) Molar Refractivity: 41.81 cm3 ; (14) Molar Volume: 112 cm3 ; (15) Surface Tension: 74.7 dyne/cm ; (16) Density: 1.482 g/cm3 ; (17) Flash Point: 186.5 °C ; (18) Enthalpy of Vaporization: 64.05 kJ/mol ; (19) Boiling Point: 361.2 °C at 760 mmHg ; (20) Vapour Pressure: 7.53E-06 mmHg at 25°C.
Uses of 5-Formylsalicylic acid : this chemical can react with nitromethane to give 5-(2-Nitroethenyl)salicylic acid .
This reaction will need reagent n-butylamine , solvent Acetic acid and other conditions like heating. The reaction time is about 3 hours. The yield is 48%.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. So when you are using it, avoid contact with skin and eyes. And do not breathe dust.
You can still convert the following datas into molecular structure:
(1)SMILES:O=C(O)c1cc(ccc1O)C=O ;
(2)InChI:InChI=1/C8H6O4/c9-4-5-1-2-7(10)6(3-5)8(11)12/h1-4,10H,(H,11,12);
(3)InChIKey:UTCFOFWMEPQCSR-UHFFFAOYAO