58950
Ethyl isonicotinate
purum, ≥99.0% (GC)
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About This Item
Empirical Formula (Hill Notation):
C8H9NO2
CAS Number:
Molecular Weight:
151.16
Beilstein:
122942
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
grade
purum
Assay
≥99.0% (GC)
refractive index
n20/D 1.501 (lit.)
n20/D 1.501
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
SMILES string
CCOC(=O)c1ccncc1
InChI
1S/C8H9NO2/c1-2-11-8(10)7-3-5-9-6-4-7/h3-6H,2H2,1H3
InChI key
MCRPKBUFXAKDKI-UHFFFAOYSA-N
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Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Storage Class Code
10 - Combustible liquids
WGK
WGK 3
Flash Point(F)
190.4 °F - closed cup
Flash Point(C)
88 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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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