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Methyl 5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-2-furoate

Methyl 5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-2-furoate - CAS 402617-00-9

Catalog:	BB044821
Product Name:	Methyl 5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-2-furoate
CAS:	402617-00-9
Synonyms:	5-(3,5-Dimethyl-4-nitro-pyrazol-1-ylmethyl)-furan-2-carboxylic acid methyl ester; methyl 5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carboxylate; methyl 5-[(3,5-dimethyl-4-nitropyrazolyl)methyl]furan-2-carboxylate

Technical Data

Computed Properties

IUPAC Name:	methyl 5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-carboxylate
Description:	Methyl 5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-2-furoate (CAS# 402617-00-9 ) is a useful research chemical.
Molecular Weight:	279.25
Molecular Formula:	C12H13N3O5
Canonical SMILES:	CC1=C(C(=NN1CC2=CC=C(O2)C(=O)OC)C)[N+](=O)[O-]
InChI:	InChI=1S/C12H13N3O5/c1-7-11(15(17)18)8(2)14(13-7)6-9-4-5-10(20-9)12(16)19-3/h4-5H,6H2,1-3H3
InChI Key:	NKMLPDFXBCJEHK-UHFFFAOYSA-N
Boiling Point:	453.6±45.0 °C at 760 mmHg
Purity:	≥ 95 %
Density:	1.4±0.1 g/cm³
Solubility:	37.2 [ug/mL] (The mean of the results at pH 7.4)

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