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13096-15-6

13096-15-6 structure
13096-15-6 structure
  • Name: 4-(2-Chloroethylthio)nicotinic acid
  • Chemical Name: 4-(2-chloroethylsulfanyl)pyridine-3-carboxylic acid
  • CAS Number: 13096-15-6
  • Molecular Formula: C8H8ClNO2S
  • Molecular Weight: 217.67300
  • Create Date: 2016-11-14 23:39:42
  • Modify Date: 2023-10-18 20:54:07

Name 4-(2-chloroethylsulfanyl)pyridine-3-carboxylic acid
Synonyms 4-(2-Chloroethylthio)nicotinic acid
Nicotinic acid,4-(2-chloroethylthio)
4-(2-chloro-ethylsulfanyl)-nicotinic acid
4-(2-Chloroethylthio)-3-pyridinecarboxylic acid
3-Pyridinecarboxylic acid,4-(2-chloroethylthio)
Density 1.43g/cm3
Boiling Point 377.2ºC at 760 mmHg
Molecular Formula C8H8ClNO2S
Molecular Weight 217.67300
Flash Point 182ºC
Exact Mass 216.99600
PSA 75.49000
LogP 2.11070
Vapour Pressure 2.31E-06mmHg at 25°C
Index of Refraction 1.612

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QT0885000
CHEMICAL NAME :
Nicotinic acid, 4-(2-chloroethylthio)-
CAS REGISTRY NUMBER :
13096-15-6
BEILSTEIN REFERENCE NO. :
0392562
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H8-Cl-N-O2-S
MOLECULAR WEIGHT :
217.68
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 :
50 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%