1-Butanaminium, N,N,N-tributyl-, salt with 2,4,6-trinitrophenol (1:1) (9CI)

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Names

[ CAS No. ]:
914-45-4

[ Name ]:
1-Butanaminium, N,N,N-tributyl-, salt with 2,4,6-trinitrophenol (1:1) (9CI)

[Synonym ]:
AMMONIUM,TETRABUTYL-,PICRATE
tetrabutylammonium picrate
2,4,6-trinitro-phenol,tetrabutylammonium salt
n-butylammonium picrate
tetra-n-butylammonium picrate
EINECS 213-018-0
Bu4N+ picrate
Ammonium,picrate

Chemical & Physical Properties

[ Molecular Formula ]:
C22H38N4O7

[ Molecular Weight ]:
470.56000

[ Exact Mass ]:
470.27400

[ PSA ]:
160.52000

[ LogP ]:
8.12820

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
BS5500000
CHEMICAL NAME :
Ammonium, tetrabutyl-, picrate
CAS REGISTRY NUMBER :
914-45-4
LAST UPDATED :
198012
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C16-H36-N.C6-H2-N3-O7
MOLECULAR WEIGHT :
470.64
WISWESSER LINE NOTATION :
WNR BO CNW ENW &4K4&4&4

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
56 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#02074

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2,4,6-trinitrochlorobenzene
  • Benzene,2-fluoro-1,3,5-trinitro-
  • Tetrabutylammonium perchlorate
  • Tetrabutylammonium hydroxide
  • Trinitrophenol
  • Tetrabutylammonium bromide
  • Benzene,2-methoxy-1,3,5-trinitro-
  • N,N-diethylethanamine,2,4,6-trinitrophenol

DownStream

  • Tetrabutylammonium perchlorate
  • N,N-diethylethanamine,2,4,6-trinitrophenol