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13096-17-8

13096-17-8 structure
13096-17-8 structure
  • Name: 4-(2-Chloroethylthio)nicotinamide
  • Chemical Name: 4-(2-chloroethylsulfanyl)pyridine-3-carboxamide
  • CAS Number: 13096-17-8
  • Molecular Formula: C8H9ClN2OS
  • Molecular Weight: 216.68800
  • Create Date: 2016-05-01 06:42:15
  • Modify Date: 2024-01-08 09:58:30

Name 4-(2-chloroethylsulfanyl)pyridine-3-carboxamide
Synonyms Nicotinamide,4-[(2-chloroethyl)thio]-(8CI)
4-(2-chloro-ethylsulfanyl)-nicotinamide
Nicotinamide,4-(2-chloroethylthio)
4-(2-Chloroethylthio)nicotinamide
Density 1.36g/cm3
Boiling Point 395ºC at 760 mmHg
Molecular Formula C8H9ClN2OS
Molecular Weight 216.68800
Flash Point 192.7ºC
Exact Mass 216.01200
PSA 82.27000
LogP 2.39560
Vapour Pressure 1.89E-06mmHg at 25°C
Index of Refraction 1.611

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QS4240000
CHEMICAL NAME :
Nicotinamide, 4-(2-chloroethylthio)-
CAS REGISTRY NUMBER :
13096-17-8
BEILSTEIN REFERENCE NO. :
0392588
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H9-Cl-N2-O-S
MOLECULAR WEIGHT :
216.70
WISWESSER LINE NOTATION :
T6NJ CVQ DS2G

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 :
140 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 10,257,1967
HS Code 2933399090
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%