ChemicalBook--->CAS DataBase List--->2597-56-0

2597-56-0

2597-56-0 Structure

2597-56-0 Structure
IdentificationMore
[Name]

2-Methoxy-4-nitrobenzoic acid
[CAS]

2597-56-0
[Synonyms]

2-METHOXY-4-NITROBENZOIC ACID
4-NITRO-2-METHOXYBENZOIC ACID
4-Nitro-o-anisic acid
RARECHEM AL BO 1464
[EINECS(EC#)]

219-998-6
[Molecular Formula]

C8H7NO5
[MDL Number]

MFCD00216573
[Molecular Weight]

197.14
[MOL File]

2597-56-0.mol
Chemical PropertiesBack Directory
[Appearance]

White to Off-White Crystalline Solid
[Melting point ]

146-148 °C (lit.)
[Boiling point ]

390.9±27.0 °C(Predicted)
[density ]

1.430±0.06 g/cm3(Predicted)
[storage temp. ]

Storage temp. 2-8°C
[solubility ]

Acetic Acid, Methanol
[form ]

Solid
[pka]

3.13±0.13(Predicted)
[color ]

White to Off-White
[InChI]

1S/C8H7NO5/c1-14-7-4-5(9(12)13)2-3-6(7)8(10)11/h2-4H,1H3,(H,10,11)
[InChIKey]

KPJXEWJRJKEOCD-UHFFFAOYSA-N
[SMILES]

COc1cc(ccc1C(O)=O)[N+]([O-])=O
[CAS DataBase Reference]

2597-56-0(CAS DataBase Reference)
Safety DataBack 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 ]

29189900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

White to Off-White Crystalline Solid
[Uses]

2-Methoxy-4-nitrobenzoic acid may be used as a starting material in the following syntheses:
  • 2-Methoxy-4-nitrobenzamide, a nitroamide derivative.
  • 4-Amino-2-methoxybenzamide, an aminobenzamide derivative.
  • N,2-Dimethoxy-N-methyl-4-nitrobenzamide, a Weinreb amide derivative.
  • 1-(2-Methoxy-4-nitrophenyl)-5-methylhex-2-yn-1-one, a ynone derivative.
  • 2,5-Constrained piperidine derivative, a potential CCR3 (Chemokine (C-C Motif) Receptor 3) antagonist.
[Uses]

2-Methoxy-4-nitrobenzoic Acid (cas# 2597-56-0) is a compound useful in organic synthesis.
[General Description]

2-Methoxy-4-nitrobenzoic acid is an alkoxybenzoic acid derivative. It has been reported to be synthesized by reacting 2-hydroxy-4-nitrobenzoic acid with methyl iodide and characterized by 1H and 13C-NMR spectra.
Spectrum DetailBack Directory
[Spectrum Detail]

2-Methoxy-4-nitrobenzoic acid(2597-56-0)1HNMR
2-Methoxy-4-nitrobenzoic acid(2597-56-0)IR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

2-Methoxy-4-nitrobenzoic acid, 98%(2597-56-0)
[Sigma Aldrich]

2597-56-0(sigmaaldrich)
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