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22621-41-6

22621-41-6 Structure

22621-41-6 Structure
IdentificationBack Directory
[Name]

METHYL 2-HYDROXY-3-NITROBENZOATE
[CAS]

22621-41-6
[Synonyms]

RARECHEM AL BF 0272
3-Nitromethyl salicylate
METHYL 3-NITROSALICYLATE
Methyl 2-hydroxy-3-benzoate
Methyl 3-nitrosalicylate,98%
METHYL 2-HYDROXY-3-NITROBENZOATE
Methyl 3-nitrosalicylate, 98% 5GR
2-Hydroxy-3-nitrobenzoic acid methyl ester
3-Nitro-2-hydroxybenzoic acid methyl ester
Methyl 3-nitrosalicylate, 2-Hydroxy-3-(methoxycarbonyl)nitrobenzene, 2-(Methoxycarbonyl)-6-nitrophenol
[Molecular Formula]

C8H7NO5
[MDL Number]

MFCD00272263
[MOL File]

22621-41-6.mol
[Molecular Weight]

197.14
Chemical PropertiesBack Directory
[Appearance]

yellow crystalline powder
[Melting point ]

127-132 °C
[Boiling point ]

263.9±20.0 °C(Predicted)
[density ]

1.432±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Crystalline Powder
[pka]

6.85±0.24(Predicted)
[color ]

Yellow
[InChI]

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

NIBVYEHAFBEVFI-UHFFFAOYSA-N
[SMILES]

C(OC)(=O)C1=CC=CC([N+]([O-])=O)=C1O
Hazard InformationBack Directory
[Chemical Properties]

yellow crystalline powder
[Uses]

3-Nitrosalicylic Acid Methyl Ester is an derivative of 3-Nitrosalicylic acid (N520905), which has been shown to bind to Molybdenum to impart fertility to soil and water and is a key element in the activity of nitrogenase.
[Synthesis]

The conventional method for the synthesis of methyl 3-nitrosalicylate generally involves direct nitration of methyl salicylate with a mixture of nitric and sulfuric acids, but the regioselectivity is dominated by 5-position nitration, with a yield of abou
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 ]

Xn
[Risk Statements ]

36/37/38-22
[Safety Statements ]

37/39-26
[HS Code ]

29189990
Spectrum DetailBack Directory
[Spectrum Detail]

METHYL 2-HYDROXY-3-NITROBENZOATE(22621-41-6)1HNMR
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