4-(2-bromoethylsulfanyl)pyridine-3-carboxamide
Names
[ CAS No. ]:
13096-19-0
[ Name ]:
4-(2-bromoethylsulfanyl)pyridine-3-carboxamide
[Synonym ]:
Nicotinamide,4-(2-bromoethylthio)
3-Pyridinecarboxamide,4-(2-bromoethylthio)
4-(2-bromo-ethylsulfanyl)-nicotinamide
4-(2-Bromoethylthio)nicotinamide
Chemical & Physical Properties
[ Density]:
1.62g/cm3
[ Boiling Point ]:
408.7ºC at 760 mmHg
[ Molecular Formula ]:
C8H9BrN2OS
[ Molecular Weight ]:
261.13900
[ Flash Point ]:
201ºC
[ Exact Mass ]:
259.96200
[ PSA ]:
82.27000
[ LogP ]:
2.55170
[ Vapour Pressure ]:
6.84E-07mmHg at 25°C
[ Index of Refraction ]:
1.642
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- QS4220000
- CHEMICAL NAME :
- Nicotinamide, 4-(2-bromoethylthio)-
- CAS REGISTRY NUMBER :
- 13096-19-0
- BEILSTEIN REFERENCE NO. :
- 0392596
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C8-H9-Br-N2-O-S
- MOLECULAR WEIGHT :
- 261.16
- WISWESSER LINE NOTATION :
- T6NJ CVZ DS2E
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
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%