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85531-17-5

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85531-17-5 Structure

85531-17-5 Structure
IdentificationBack Directory
[Name]

TRISALICYLIC ACID (100 MG)
[CAS]

85531-17-5
[Synonyms]

Tri-Salicylic Acid
TRISALICYLIC ACID (100 MG)
Benzoic acid, 2-[(2-hydroxybenzoyl)oxy]-, 2-carboxyphenyl ester
[Molecular Formula]

C21H14O7
[MDL Number]

MFCD30602798
[MOL File]

85531-17-5.mol
[Molecular Weight]

378.33
Chemical PropertiesBack Directory
[Melting point ]

144 - 146oC
[storage temp. ]

-20°C Freezer, Under inert atmosphere
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[color ]

White to Off-White
[Major Application]

pharmaceutical (small molecule)
[InChI]

1S/C21H14O7/c22-16-10-4-1-7-13(16)20(25)28-18-12-6-3-9-15(18)21(26)27-17-11-5-2-8-14(17)19(23)24/h1-12,22H,(H,23,24)
[InChIKey]

YVJQWLQBUBZFTE-UHFFFAOYSA-N
[SMILES]

O(c2c(cccc2)C(=O)Oc3c(cccc3)C(=O)O)C(=O)c1c(cccc1)O
Safety DataBack Directory
[WGK Germany ]

WGK 3
[HS Code ]

2918230000
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Aquatic Acute 1
Aquatic Chronic 1
Hazard InformationBack Directory
[Uses]

Tri-Salicylic Acid is a product of the thermal decomposition of aspirin.
[storage]

4°C, protect from light
Spectrum DetailBack Directory
[Spectrum Detail]

TRISALICYLIC ACID (100 MG)(85531-17-5)1HNMR
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