1-(3,3,4,4,5,5,6,6,6-Nonafluoro-1-iodohexyl)-2,8,9-trioxa-5-aza-1-sila bicyclo(3.3.3)undecane

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Names

[ CAS No. ]:
135587-13-2

[ Name ]:
1-(3,3,4,4,5,5,6,6,6-Nonafluoro-1-iodohexyl)-2,8,9-trioxa-5-aza-1-sila bicyclo(3.3.3)undecane

[Synonym ]:
2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane,1-(3,3,4,4,5,5,6,6,6-nonafluoro-1-iodohexyl)
1-(3,3,4,4,5,5,6,6,6-Nonafluoro-1-iodohexyl)-2,8,9-trioxa-5-aza-1-silabicyclo(3.3.3)undecane

Chemical & Physical Properties

[ Density]:
1.72g/cm3

[ Boiling Point ]:
337.8ºC at 760mmHg

[ Molecular Formula ]:
C12H15F9INO3Si

[ Molecular Weight ]:
547.22800

[ Flash Point ]:
158.1ºC

[ Exact Mass ]:
546.97200

[ PSA ]:
30.93000

[ LogP ]:
3.86320

[ Vapour Pressure ]:
0.000103mmHg at 25°C

[ Index of Refraction ]:
1.45

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YJ9042000
CHEMICAL NAME :
2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(3,3,4,4,5,5,6,6,6-nonafluoro-1-iodohexyl)-
CAS REGISTRY NUMBER :
135587-13-2
LAST UPDATED :
199712
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H15-F9-I-N-O3-Si
MOLECULAR WEIGHT :
547.27

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 :
400 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: 25,405,1991

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Perfluorobutyl iodide
  • 1-vinylsilatrane

DownStream

Related Compounds

  • 4-(6-Amino-pyridazin-3-yl)-benzoic acid
  • 5-(3-Fluorophenyl)-6-methoxy-3-pyridineacetic acid
  • Tert-butyl (4-(1-hydroxyethyl)pyridin-2-YL)carbamate
  • Methyl 2-ethyl-3-({[4-(trifluoromethoxy)phenyl]methyl}amino)butanoate
  • 4-[1-methyl-3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-1H-pyrazol-5-amine
  • 4-(3-Isobutyl-1-methyl-1h-1,2,4-triazol-5-yl)-1h-pyrazol-5-amine
  • 4-(3-ethyl-1-methyl-1H-1,2,4-triazol-5-yl)-1H-pyrazol-5-amine
  • 2-Fluoro-6-phenyl-4-pyridineacetic acid
  • 1-[4-Methyl-6-(trifluoromethyl)pyridin-3-yl]ethanamine
  • 3-Cyclobutyl-3-{[(3,4,5-trimethoxyphenyl)methyl]amino}propanoic acid
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