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Tetra-n-butylammonium Phenyltrifluoroborate

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Name

Tetra-n-butylammonium Phenyltrifluoroborate

EINECS N/A
CAS No. 149477-41-8 Density N/A
PSA 0.00000 LogP 6.74460
Solubility N/A Melting Point N/A
Formula C16H36N.C6H5BF3 Boiling Point N/A
Molecular Weight 387.378 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 149477-41-8 (Tetra-n-butylammonium Phenyltrifluoroborate) Hazard Symbols N/A
Synonyms

Tetra-n-butylammonium Phenyltrifluoroborate

 

Tetra-n-butylammonium Phenyltrifluoroborate Specification

The Tetra-n-butylammonium Phenyltrifluoroborate has CAS registry number 149477-41-8. It belongs to the product categories of Boron, Nitrile, Thio &TM-Cpds. Its molecular formula is C16H36N.C6H5BF3 and molecular weight is 387.378. What's more, its systematic name is N,N,N-Tributylbutan-1-aminium trifluoro(phenyl)borate(1-).

Physical properties about the Tetra-n-butylammonium Phenyltrifluoroborate are: (1)ACD/LogP: -1.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.72; (4)ACD/LogD (pH 7.4): -1.72; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.78; (8)ACD/KOC (pH 7.4): 2.78; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 0 Å2.

You can still convert the following datas into molecular structure:
(1) SMILES: F[B-](F)(F)c1ccccc1.CCCC[N+](CCCC)(CCCC)CCCC
(2) InChI: InChI=1/C16H36N.C6H5BF3/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;8-7(9,10)6-4-2-1-3-5-6/h5-16H2,1-4H3;1-5H/q+1;-1
(3) InChIKey: SQRLCDKEHWULQU-UHFFFAOYAU

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