| Identification | More | [Name]
3-ACETOXYBENZOIC ACID | [CAS]
6304-89-8 | [Synonyms]
3-ACETOXYBENZOIC ACID
3-(ACETYLOXY)BENZOIC ACID
RARECHEM AL BE 0249
m-acetoxybenzoicacid | [Molecular Formula]
C9H8O4 | [MDL Number]
MFCD00016699 | [Molecular Weight]
180.16 | [MOL File]
6304-89-8.mol |
| Chemical Properties | Back Directory | [Melting point ]
131-134 °C(lit.) | [Boiling point ]
338.1±25.0 °C(Predicted) | [density ]
1.290±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
Powder | [pka]
pK1: 4.00 (25°C) | [color ]
White | [InChI]
1S/C9H8O4/c1-6(10)13-8-4-2-3-7(5-8)9(11)12/h2-5H,1H3,(H,11,12) | [InChIKey]
NGMYCWFGNSXLMP-UHFFFAOYSA-N | [SMILES]
CC(=O)Oc1cccc(c1)C(O)=O | [CAS DataBase Reference]
6304-89-8(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [HS Code ]
29182900 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Uses]
3-Acetoxybenzoic acid (3-aBH) may be used as a ligand to prepare:
- bis-(3-acetoxybenzoato)triphenylantimony(V)
- bis-(3-acetoxybenzoato)triphenylbismuth(V)
- [Ln(3-ab)3(N2H4)2]·xH2O (Ln = La,Ce, Pr, Nd, Sm and Gd; N2H4= hydrazine)
It may be used as staring material to synthesize 3-acetoxybenzoyl chloride. | [Synthesis Reference(s)]
Tetrahedron Letters, 33, p. 7961, 1992 DOI: 10.1016/S0040-4039(00)74789-7 | [General Description]
3-Acetoxybenzoic acid (3-ABA), a meta-substituted benzoic acid, is an isomer of aspirin. It can be synthesized by reacting 3-hydroxybenzoic acid with acetic anhydride. The esterification of 3-ABA with 1,1′-carbonyldiimidazole (CDI) in the presence of reactive halides has been reported. |
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