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35288-44-9

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35288-44-9 Structure

35288-44-9 Structure
IdentificationBack Directory
[Name]

4-Propoxy-3-nitrobenzoic acid
[CAS]

35288-44-9
[Synonyms]

Proparacaine Impurity 6
4-Propoxy-3-nitrobenzoic acid
3-NITRO-4-PROPOXYBENZOIC ACID
Benzoic acid, 3-nitro-4-propoxy-
[Molecular Formula]

C10H11NO5
[MDL Number]

MFCD09743985
[MOL File]

35288-44-9.mol
[Molecular Weight]

225.2
Chemical PropertiesBack Directory
[Melting point ]

167.5-169.7 °C
[Boiling point ]

387.3±27.0 °C(Predicted)
[density ]

1.318±0.06 g/cm3(Predicted)
[pka]

3.85±0.10(Predicted)
[InChI]

InChI=1S/C10H11NO5/c1-2-5-16-9-4-3-7(10(12)13)6-8(9)11(14)15/h3-4,6H,2,5H2,1H3,(H,12,13)
[InChIKey]

NKACWRJUOBYVGP-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C1=CC=C(OCCC)C([N+]([O-])=O)=C1
Hazard InformationBack Directory
[Uses]

4-Propoxy-3-nitrobenzoic acid is commonly used as an intermediate in the synthesis of proparacaine.
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