Products Categories
| CAS No.: | 50-86-2 |
|---|---|
| Name: | 4-Acetamidosalicylic acid |
| Article Data: | 29 |
| Molecular Structure: | |
|
|
|
| Formula: | C9H9NO4 |
| Molecular Weight: | 195.175 |
| Synonyms: | Salicylicacid, 4-acetamido- (6CI,7CI,8CI);2-Hydroxy-4-acetamidobenzoic acid;N-Acetyl-4-aminosalicylic acid;NSC 54182;P-Acetamidosalicylic acid; |
| EINECS: | 200-069-9 |
| Density: | 1.462 g/cm3 |
| Melting Point: | 227-229 °C |
| Boiling Point: | 470.6 °C at 760 mmHg |
| Flash Point: | 238.4 °C |
| Appearance: | off-white solid |
| Hazard Symbols: |
 Xi
|
| PSA: | 86.63000 |
| LogP: | 1.12180 |
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 717878-06-31-(4-fluorophenyl)-4-nitro-1H-imidazole
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
| Conditions | Yield |
|---|---|
| In acetone for 24h; Cooling with ice; | 95% |
| With sodium hydroxide In water at 60℃; for 4h; pH=6-7; | 91% |
| In acetone for 6h; | 91% |
| Conditions | Yield |
|---|---|
| With acetic anhydride In ethanol | 92% |
| With acetic anhydride In ethanol | 72.3 g (74.15%) |
| Conditions | Yield |
|---|---|
| In pyridine for 2h; Inert atmosphere; Reflux; | 85% |
| With pyridine at 0℃; for 2h; Inert atmosphere; Reflux; | 85% |
| With pyridine |
- 108-24-7
acetic anhydride
- 65-49-6
4-Aminosalicylic acid
- 64-19-7
acetic acid
- 50-86-2
4-acetamidosalicylic acid
| Conditions | Yield |
|---|---|
| for 0.25h; Reflux; | 85% |
| Conditions | Yield |
|---|---|
| In water at 45℃; for 4h; | 84.12% |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; acetic anhydride In water | 56% |
| Conditions | Yield |
|---|---|
| With oxygen; potassium acetate; palladium diacetate; p-benzoquinone In N,N-dimethyl acetamide at 115℃; under 760.051 Torr; for 15h; | 52% |
- 43134-76-5
1-amino-3-acetylamino-6-carboxy-benzene
- 50-86-2
4-acetamidosalicylic acid
| Conditions | Yield |
|---|---|
| With sodium hydrogen sulfate; sodium nitrite |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: nickel-aluminium-alloy; aq. NaOH solution 2: pyridine View Scheme |
| Conditions | Yield |
|---|---|
| With Mycobacterium tuberculosis H37Rv arylamine N-acetyltransferase In aq. buffer at 37℃; pH=7.5; Enzymatic reaction; |
What can I do for you?
Get Best Price
Specification
This chemical is called 4-Acetamidosalicylic acid, and it can also be named as P-Acetamidosalicylic acid. With the CAS number of 50-86-2, its IUPAC name is 4-acetamido-2-hydroxybenzoic acid. Usually, its molecular formula is C9H9NO4. This chemical is off-white solid, and its product categories are Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides and Salts, Aromatics.
Other characteristics of the 4-Acetamidosalicylic acid are as followings: (1)ACD/LogP: 1.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.17; (4)ACD/LogD (pH 7.4): -1.29; (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: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.661; (14)Molar Refractivity: 49.33 cm3; (15)Molar Volume: 133.4 cm3; (16)Polarizability: 19.55×10-24 cm3; (17)Surface Tension: 71.5 dyne/cm; (18)Density: 1.462 g/cm3; (19)Flash Point: 238.4 °C; (20)Enthalpy of Vaporization: 77.25 kJ/mol; (21)Boiling Point: 470.6 °C at 760 mmHg; (22)Vapour Pressure: 1.16E-09 mmHg at 25°C; (23)Melting Point: 227-229°C; (24)Henry's Law Constant : 1.63E-14 atm-m3/mole at 25°C; (25)Atmospheric OH Rate Constant: 7.93E-11 cm3/molecule-sec at 25°C; (26)Log P(octanol-water); 1.62.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccc(cc1O)NC(=O)C
(2)InChI: InChI=1/C9H9NO4/c1-5(11)10-6-2-3-7(9(13)14)8(12)4-6/h2-4,12H,1H3,(H,10,11)(H,13,14)
(3)InChIKey: YBTVSGCNBZPRBD-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C9H9NO4/c1-5(11)10-6-2-3-7(9(13)14)8(12)4-6/h2-4,12H,1H3,(H,10,11)(H,13,14)
(5)Std. InChIKey: YBTVSGCNBZPRBD-UHFFFAOYSA-N