4-(2-Chloroethylthio)nicotinic acid
Names
[ CAS No. ]:
13096-15-6
[ Name ]:
4-(2-Chloroethylthio)nicotinic acid
[Synonym ]:
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)
Chemical & Physical Properties
[ 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
Toxicological Information
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
Safety Information
[ HS Code ]:
2933399090
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%