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Merck
CN

58950

Ethyl isonicotinate

purum, ≥99.0% (GC)

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About This Item

Empirical Formula (Hill Notation):
C8H9NO2
CAS Number:
1570-45-2
Molecular Weight:
151.16
EC Number:
216-379-2
UNSPSC Code:
12352100
PubChem Substance ID:
329758534
Beilstein/REAXYS Number:
122942
MDL number:
MFCD00006428

Key Documents

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InChI key

MCRPKBUFXAKDKI-UHFFFAOYSA-N

InChI

1S/C8H9NO2/c1-2-11-8(10)7-3-5-9-6-4-7/h3-6H,2H2,1H3

SMILES string

CCOC(=O)c1ccncc1

grade

purum

assay

≥99.0% (GC)

bp

92 °C/8 mmHg (lit.)

solubility

H2O: soluble, ethanol: soluble, methanol: soluble

density

1.009 g/mL at 25 °C (lit.)

fluorescence

λex 360 nm; λem 450 nm in H2O

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

190.4 °F - closed cup

flash_point_c

88 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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I Martin et al.
Acta chemica Scandinavica (Copenhagen, Denmark : 1989), 49(3), 230-232 (1995-03-01)
The NMDA antagonist CGS 19755 (cis-4-phosphonomethyl-2-piperidinecarboxylic acid) has been prepared by applying Minisci reaction conditions [formamide, hydrogen peroxide, iron(II) sulfate] to ethyl isonicotinate, reduction of the ester with sodium borohydride, alcoholysis of the 2-carboxamide, formation of 4-(diethylphosphonomethyl)-2-pyridinecarboxylate, hydrogenation of the
Gabriella Tamasi et al.
Journal of inorganic biochemistry, 102(10), 1874-1884 (2008-08-08)
The reaction of RuCl(3)(NO).H(2)O with 4-methylpyrimidine (MePYM) and ethylisonicotinate (EINT), in absolute ethanol at 40-55 degrees C afforded crystalline trans-[RuCl(3)(NO)L(2)] complexes. Structural studies via X-ray diffraction, and spectroscopic methods (NMR, IR, UV-visible (UV-Vis)) revealed that the molecular structures have the

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