| Identification | More | [Name]
5-ACETYLSALICYLIC ACID | [CAS]
13110-96-8 | [Synonyms]
5-ACETYL-2-HYDROXYBENZOIC ACID
5-ACETYLSALICYLIC ACID
5-Acetylsalicylic acid, 98+%
2-Hydroxy-5-acetylbenzoic acid | [EINECS(EC#)]
236-037-6 | [Molecular Formula]
C9H8O4 | [MDL Number]
MFCD00013978 | [Molecular Weight]
180.16 | [MOL File]
13110-96-8.mol |
| Chemical Properties | Back Directory | [Melting point ]
214-216°C | [Boiling point ]
413.0±35.0 °C(Predicted) | [density ]
1.365±0.06 g/cm3(Predicted) | [Fp ]
250°C | [storage temp. ]
2-8°C | [solubility ]
Soluble in DMSO | [form ]
powder to crystalline | [pka]
2.62±0.10(Predicted) | [color ]
White to Light yellow | [Sensitive ]
Moisture Sensitive | [BRN ]
2096968 | [InChI]
InChI=1S/C9H8O4/c1-5(10)6-2-3-8(11)7(4-6)9(12)13/h2-4,11H,1H3,(H,12,13) | [InChIKey]
NZRDKNBIPVLNHA-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C1=CC(C(C)=O)=CC=C1O | [CAS DataBase Reference]
13110-96-8(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
R22:Harmful if swallowed. | [Safety Statements ]
S22:Do not breathe dust . | [HS Code ]
2918.29.7500 |
| Hazard Information | Back Directory | [Uses]
5-acetylsalicylic acid (cas# 13110-96-8) is a useful research chemical. It is used in radiation-sensitive resin composition, method of forming a pattern, and method for production of monomeric compound. | [Definition]
ChEBI: 5-Acetylsalicylic acid is an aromatic ketone. | [Preparation]
Obtained by Fries rearrangement of 2-(acetyloxy)-benzoic acid (Aspirin) (1 mol) in the presence of aluminium chloride (3.3 mol),
? in nitrobenzene at r.t. for 1 h (36%) ;
? without solvent at 120–125° for 1 h (19%). | [Synthesis Reference(s)]
Journal of Medicinal Chemistry, 23, p. 738, 1980 DOI: 10.1021/jm00181a008 | [storage]
Store at -20°C |
|
| 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 |
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