Acetylsalicylsalicylic acid
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Acetylsalicylsalicylic acid
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CAS No:
530-75-6
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Formula:
C16H12O6
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Chemical Name:
Acetylsalicylsalicylic acid
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Synonyms:
Benzoic acid,2-(acetyloxy)-,2-carboxyphenyl ester;Salicylic acid,salicylate,acetate;Salicylacetylsalicylic acid;Acetylsalicylsalicylic acid;Diplosal acetate;Acesalum;Diplosalacetat;2-[(2-Acetoxybenzoyl)oxy]benzoic acid;2-[[2-(Acetyloxy)benzoyl]oxy]benzoic acid
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CAS No:
Description
white to almost white fine crystalline powder
2-[(2-acetyloxyphenyl)-oxomethoxy]benzoic acid is a carbonyl compound.
Acetylsalicylsalicylic acid Basic Attributes
300.26
300.26
208-493-6
VBE72MCP5L
DTXSID5074977
2918990090
Characteristics
89.9
2.4
White to almost white fine crystalline powder
1.3±0.1 g/cm3
159 °C
540.1°C at 760 mmHg
203.9±19.4 °C
1.599
20mg/L(21 ºC)
159.4 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
Safety Information
36/37/38
24/25
Xi
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
Acetylsalicylsalicylic acid Use and Manufacturing
To a solution of salsalicylic acid (salsalate) (5.0 g, 19.37 mmol) in acetic anhydride (15.0 mL, 147.0 mmol) was added 3 drops of conc. HTo a solution of salsalicylic acid (salsalate) (5.0 g, 19.37 mmol) in acetic anhydride (15.0 mL, 147.0 mmol) was added 3 drops of cone. H2S04 and the mixture was stirred at RT for 16-20 h. The mixture was diluted with ice cold water (50 mL) and precipitated solid was filtered, washed with water ( 2 x 10 mL), hexanes (20 mL) and dried to afford 2-{[2- (acetyloxy)benzoyl]oxy}benzoic acid, 11 (5.5 g, mmol) as white solid. Rf: 0.3 (50percent EtOAc/hexanes).
Acetylsalicylic Acid Impurity C
Computed Properties
Molecular Weight:300.26
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:300.06338810
Monoisotopic Mass:300.06338810
Topological Polar Surface Area:89.9
Heavy Atom Count:22
Complexity:432
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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