The Tetrapropyl ammonium tetrafluoroborate, with the CAS registry number of 338-38-5, is also known as n,n,n-Tripropylpropan-1-aminium tetrafluoroborate. Its EINECS number is 206-416-0. Its molecular formula is C12H28BF4N and molecular weight is 273.16. What's more, its IUPAC name is Tetrapropylazanium tetrafluoroborate.
Physical properties about the Tetrapropyl ammonium tetrafluoroborate are: (1)ACD/LogP: -2.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.64; (4)ACD/LogD (pH 7.4): -2.64; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 0 Å2.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1) SMILES: F[B-](F)(F)F.[N+](CCC)(CCC)(CCC)CCC
(2) InChI: InChI=1/C12H28N.BF4/c1-5-9-13(10-6-2,11-7-3)12-8-4;2-1(3,4)5/h5-12H2,1-4H3;/q+1;-1
(3) InChIKey: ADADJCUTHQJPCB-UHFFFAOYAH
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 5600ug/kg (5.6mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02197, |
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