Ethyl isonicotinate

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Names

[ Name ]:
Ethyl isonicotinate

[Synonym ]:
4-Picolinic acid ethyl ester
4-Pyridinecarboxylic acid, ethyl ester
Isonicotinic Acid Ethyl Ester
MFCD00006428
Ethyl 4-pyridinecarboxylate
EINECS 216-379-2
ethyl pyridine-4-carboxylate
4-Pyridinecarboxylic acid ethyl ester
Ethyl isonicotinate

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
219.5±0.0 °C at 760 mmHg

[ Melting Point ]:
23ºC

[ Molecular Formula ]:
C₈H₉NO₂

[ Molecular Weight ]:
151.163

[ Flash Point ]:
87.8±0.0 °C

[ Exact Mass ]:
151.063324

[ PSA ]:
39.19000

[ LogP ]:
1.42

[ Vapour Pressure ]:
0.1±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.506

[ Water Solubility ]:
immiscible

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NS1450000

CHEMICAL NAME :: Isonicotinic acid, ethyl ester

CAS REGISTRY NUMBER :: 1570-45-2

BEILSTEIN REFERENCE NO. :: 0122942

LAST UPDATED :: 199701

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C8-H9-N-O2

MOLECULAR WEIGHT :: 151.18

WISWESSER LINE NOTATION :: T6NJ DVO2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 56 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#03434

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xi:Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S36

[ RIDADR ]:
NA 1993 / PGIII

[ WGK Germany ]:
3

[ RTECS ]:
NS1450000

[ HS Code ]:
29333999

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Isonicotinic acid
Ethanol
p-Formylpyridine
Ethyl isonicotinate 1-oxide
Isoniazid
Bromoethane
Isonicotinicacidpotassiumsalt
Isonicotinonitrile
Isonicotinoyl chloride
Cinchomeronic acid

DownStream

4-amino-5-(4-pyridyl)-4 h-1,2,4-triazole-3-thiol
Isoniazid
3-QUINUCLIDINONE
ETHYL 1-METHYL-1,2,3,6-TETRAHYDROPYRIDINE-4-CARBOXYLATE
Isonicotinamide 1-oxide
3-PYRIDIN-4-YLANILINE
4-Pyridinemethanol
Ftivazide
3-(4-Pyridinyl)-1H-pyrazol-5-amine
1-(PYRIDIN-4-YL)PIPERIDINE-4-CARBOXYLIC ACID

Customs

[ HS Code ]: 2933399090

[ Summary ]:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Articles

[RuII(NO+)]3+-core complexes with 4-methyl-pyrimidine and ethyl-isonicotinate: synthesis, X-ray structure, spectroscopy, and computational and NO-release studies upon UVA irradiation.

J. Inorg. Biochem. 102(10) , 1874-84, (2008)

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. Structur...

An alternative synthesis of the NMDA antagonist CGS 19755 via free radical carbamoylation of ethyl isonicotinate.

Acta Chem. Scand. 49(3) , 230-2, (1995)

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 is...

Ethyl isonicotinate oxide
Ethyl isonicotinate methiodide
2-(2-Piperidinyl)ethyl isonicotinate hydrochloride
2-(3-Piperidinyl)ethyl isonicotinate hydrochloride
2-(4-Piperidinyl)ethyl isonicotinate hydrochloride
2-(2,2-Dimethyl-1,3,6,2-dioxazasilocan-6-yl)ethyl isonicotinate