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1882-69-5

1882-69-5 Structure

1882-69-5 Structure
IdentificationMore
[Name]

5-Methoxy-2-nitrobenzoic acid
[CAS]

1882-69-5
[Synonyms]

2-nitro-5-methoxybenzoic acid
5-METHOXY-2-NITROBENZOIC ACID
6-Nitro-m-anisicacid
(R)-4-CHLOROMETHYL-2,2-DIMETHYL-1,3-DIOXOLANE 98+%
[Molecular Formula]

C8H7NO5
[MDL Number]

MFCD00151836
[Molecular Weight]

197.14
[MOL File]

1882-69-5.mol
Questions And AnswerBack Directory
[Synthesis]

m-Methoxybenzaldehyde was added to nitric acid in batches, maintaining an internal temperature of 18-20°C. After the addition was complete, the temperature was raised to room temperature, and the reaction was allowed to proceed for 10 minutes with vigorous stirring. The reaction solution was then poured into 1000 ml of cold water, filtered, and the solid was neutralized with sodium hydroxide aqueous solution to a pH of 12. Potassium permanganate was added at 40°C, and the reaction was maintained at this temperature for 1 hour. The mixture was then filtered while hot, and the filtrate was dried to obtain 5-methoxy-2-nitrobenzoic acid.
Chemical PropertiesBack Directory
[Appearance]

beige to grey or brown granules
[Melting point ]

125-130 °C (lit.)
[Boiling point ]

334.23°C (rough estimate)
[density ]

1.430
[refractive index ]

1.5700 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

soluble in Methanol
[form ]

Granules
[pka]

2.06±0.25(Predicted)
[color ]

Beige to gray or brown
[BRN ]

1877657
[InChI]

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

URADKXVAIGMTEG-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C1=CC(OC)=CC=C1[N+]([O-])=O
[CAS DataBase Reference]

1882-69-5(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

3
[REACH Registrations]

Active
[HS Code ]

29182900
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Sodium hydroxide-->Hydrochloric acid-->Dichloromethane-->Pyridine-->Potassium permanganate-->Iodomethane-->3-Methyl-4-nitrophenol
[Preparation Products]

4-Nitroanisole-->2-Amino-5-methoxybenzoic acid-->5-Hydroxy-2-nitrobenzoic acid-->6-Methoxy-quinazolin-4-ylamine-->5-Methoxy-2-nitrobenzaldehyde-->4-Nitrophenol-->2-nitro-N-(5-chloro-pyridin-2-yl)-5-methoxy-benzamide
Hazard InformationBack Directory
[Chemical Properties]

beige to grey or brown granules
[Uses]

5-Methoxy-2-nitrobenzoic acid is used in the synthesis of Cathepsin S inhibitors with antitumor applications. In addition, 2-aminocombretastatin derivatives with potential as antimitotic agents are synt hesized using this compound.
[General Description]

5-Methoxy-2-nitrobenzoic acid is a substituted 2-nitrobenzoic acid. It has been reported to be one of the microbial degradation metabolite of cypermethrin, a synthetic pyrethroid pesticide.
Spectrum DetailBack Directory
[Spectrum Detail]

5-Methoxy-2-nitrobenzoic acid(1882-69-5)MS
5-Methoxy-2-nitrobenzoic acid(1882-69-5)1HNMR
5-Methoxy-2-nitrobenzoic acid(1882-69-5)IR1
5-Methoxy-2-nitrobenzoic acid(1882-69-5)IR2
5-Methoxy-2-nitrobenzoic acid(1882-69-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

5-Methoxy-2-nitrobenzoic acid, 97%(1882-69-5)
[Alfa Aesar]

5-Methoxy-2-nitrobenzoic acid, 97%(1882-69-5)
[Sigma Aldrich]

1882-69-5(sigmaaldrich)
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