diethyl 4-(2-furyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Names

[ Name ]:
diethyl 4-(2-furyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

[Synonym ]:
4-fluorophenyl methyl sulfide
4-fluoro-1-methylthiobenzene
4-F-phenyl methyl sulfide
1-fluoro-4-methylsulfanyl-benzene
4-Fluorothioanisole
4-furan-2-yl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylicacid diethyl ester
p-fluorophenyl methyl sulfide

Chemical & Physical Properties

[ Density]:
1.156g/cm3

[ Boiling Point ]:
429.9ºC at 760mmHg

[ Molecular Formula ]:
C₁₇H₂₁NO₅

[ Molecular Weight ]:
319.35200

[ Flash Point ]:
213.8ºC

[ Exact Mass ]:
319.14200

[ PSA ]:
77.77000

[ LogP ]:
2.96940

[ Vapour Pressure ]:
1.35E-07mmHg at 25°C

[ Index of Refraction ]:
1.512

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: US7978000

CHEMICAL NAME :: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-furyl)-2,6-dimethyl-, diethyl ester

CAS REGISTRY NUMBER :: 23118-56-1

BEILSTEIN REFERENCE NO. :: 0288948

LAST UPDATED :: 199612

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C17-H21-N-O5

MOLECULAR WEIGHT :: 319.39

WISWESSER LINE NOTATION :: T6M DHJ B1 CVO2 EVO2 F1 D- BT5OJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >7500 mg/kg

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

REFERENCE :: PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 13,611,1979

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 180 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#01322

Safety Information

[ HS Code ]:
2934999090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2934999090

[ Summary ]:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%