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400877-57-8

400877-57-8 Structure

400877-57-8 Structure
IdentificationBack Directory
[Name]

Methyl 1-Methyl-4-nitro-1H-pyrazole-3-carboxylate
[CAS]

400877-57-8
[Synonyms]

Methyl 1-Methyl-4-nitropyrazole-3-carboxylate
Methyl 1-Methyl-4-nitro-1H-pyrazole-3-carboxylate
1-Methyl-4-nitro-1H-pyrazole-3-carboxylic acid methyl ester
1H-Pyrazole-3-carboxylic acid, 1-methyl-4-nitro-, methyl ester
Methyl 1-Methyl-4-nitro-1H-pyrazole-3-carboxylate ISO 9001:2015 REACH
[Molecular Formula]

C6H7N3O4
[MDL Number]

MFCD19443825
[MOL File]

400877-57-8.mol
[Molecular Weight]

185.14
Chemical PropertiesBack Directory
[Melting point ]

122-123 °C
[Boiling point ]

306.6±22.0 °C(Predicted)
[density ]

1.49±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

-4.49±0.10(Predicted)
[Appearance]

White to off-white Solid
[InChI]

InChI=1S/C6H7N3O4/c1-8-3-4(9(11)12)5(7-8)6(10)13-2/h3H,1-2H3
[InChIKey]

KRIOGKNOYPHJPC-UHFFFAOYSA-N
[SMILES]

N1(C)C=C([N+]([O-])=O)C(C(OC)=O)=N1
Spectrum DetailBack Directory
[Spectrum Detail]

Methyl 1-Methyl-4-nitro-1H-pyrazole-3-carboxylate(400877-57-8)1HNMR
Hazard InformationBack Directory
[References]

[1] Patent: CN107235906, 2017, A. Location in patent: Paragraph 0126-0129
[2] ACS Medicinal Chemistry Letters, 2013, vol. 4, # 10, p. 979 - 984
[3] Patent: CN107652293, 2018, A. Location in patent: Paragraph 0102; 0103; 0104
[4] Patent: US2011/306589, 2011, A1. Location in patent: Page/Page column 53
[5] Patent: WO2016/144846, 2016, A1. Location in patent: Page/Page column 40
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