| Identification | More | [Name]
4-Methoxy-2-nitrobenzoic acid | [CAS]
33844-21-2 | [Synonyms]
2-NITRO-4-METHOXYBENZOIC ACID
4-METHOXY-2-NITROBENZOIC ACID
RARECHEM AL BO 1421
4-METHOXY-2-NITROBENZOIC ACID 98% | [Molecular Formula]
C8H7NO5 | [MDL Number]
MFCD04972109 | [Molecular Weight]
197.14 | [MOL File]
33844-21-2.mol |
| Chemical Properties | Back Directory | [Melting point ]
196.5-200.5 °C (lit.) | [Boiling point ]
372.9±27.0 °C(Predicted) | [density ]
1.430±0.06 g/cm3(Predicted) | [storage temp. ]
Keep Cold | [solubility ]
soluble in Methanol | [form ]
powder to crystal | [pka]
2.46±0.25(Predicted) | [color ]
White to Light yellow to Light orange | [InChI]
1S/C8H7NO5/c1-14-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11) | [InChIKey]
DVZBWONCSHFMMM-UHFFFAOYSA-N | [SMILES]
COc1ccc(C(O)=O)c(c1)[N+]([O-])=O | [CAS DataBase Reference]
33844-21-2(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S36:Wear suitable protective clothing . | [WGK Germany ]
2
| [HS Code ]
2918999090 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral |
| Hazard Information | Back Directory | [Uses]
4-Methoxy-2-nitrobenzoic acid can serve as a key step in chemical reactions for synthesizing certain drug molecules, or play a role in the synthesis of certain types of dyes, fragrances, and other chemicals. | [Synthesis]
Step 1: A mixed solution of 4-methyl-3-nitroanisole (3.6 g, 18 mmol) with potassium permanganate (10 g, 63 mmol) in 200 mL of water was refluxed for 24 hours. After completion of the reaction, it was cooled to room temperature and filtered to remove insoluble solids. The filtrate was acidified to pH 2 with 1 N hydrochloric acid and subsequently extracted with chloroform (3 x 50 mL). The organic phases were combined, dried with anhydrous magnesium sulfate and filtered. The filtrate was concentrated under reduced pressure and the precipitate precipitated was collected to give 4-methoxy-2-nitrobenzoic acid in 80% yield. | [References]
[1] Patent: US5665719, 1997, A
[2] Journal of Organic Chemistry, 2018, vol. 83, # 15, p. 8092 - 8103
[3] Chemische Berichte, 1918, vol. 51, p. 14
[4] Patent: US4781750, 1988, A |
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