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479349

3-Acetoxybenzoic acid

98%

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About This Item

Linear Formula:
CH3CO2C6H4CO2H
CAS Number:
6304-89-8
Molecular Weight:
180.16
NACRES:
NA.22
PubChem Substance ID:
24871613
UNSPSC Code:
12352100
MDL number:
MFCD00016699
Assay:
98%
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assay

98%

mp

131-134 °C (lit.)

functional group

carboxylic acid, ester

SMILES string

CC(=O)Oc1cccc(c1)C(O)=O

InChI

1S/C9H8O4/c1-6(10)13-8-4-2-3-7(5-8)9(11)12/h2-5H,1H3,(H,11,12)

InChI key

NGMYCWFGNSXLMP-UHFFFAOYSA-N

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.

Application

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.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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