n-Butylammonium tetrafluoroborate - ≥98% , CAS No.71852-73-8

CAS: 71852-73-8 Cat. No.: N494012 Molecular Weight: 160.95 PubChem CID: 51438

GRADE & PURITY ≥98%

Synonyms

Mono-n-butylammonium tetrafluoroborate|71852-73-8|butylazanium;tetrafluoroborate|BORATE(1-), TETRAFLUORO-, MONO-n-BUTYLAMMONIUM SALT|BUTAN-1-AMINIUM TETRAFLUOROBORATE|butylammonium tetrafluoroborate|starbld0033884|SCHEMBL49818|n-Butylammonium tetrafluorob

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

Mono-n-butylammonium tetrafluoroborate | 71852-73-8 | butylazanium;tetrafluoroborate | BORATE(1-), TETRAFLUORO-, MONO-n-BUTYLAMMONIUM SALT | BUTAN-1-AMINIUM TETRAFLUOROBORATE | butylammonium tetrafluoroborate | starbld0033884 | SCHEMBL49818 | n-Butylammonium tetrafluorob

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488183372
• Canonical Smiles: [B-](F)(F)(F)F.CCCC[NH3+]
• IUPAC Name: butylazanium;tetrafluoroborate
• InChIKey: NPRPGAZEBACOGF-UHFFFAOYSA-O
• INCHI: 1S/C4H11N.BF4/c1-2-3-4-5;2-1(3,4)5/h2-5H2,1H3;/q;-1/p+1
• Isomeric SMILES: [B-](F)(F)(F)F.CCCC[NH3+]
• PubChem CID: 51438
• Molecular Weight: 160.95

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic salts
    • Class Organic metal salts
      • Subclass Organic metalloid salts

• Kingdom: Organic compounds
• Superclass: Organic salts
• Class: Organic metal salts
• Subclass: Organic metalloid salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic metalloid salts
• Alternative Parents: Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic metalloid salt - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic metalloid salts. These are organic salt compounds containing a metalloid atom in its ionic form.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Molecular Weight: 160.950 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 161.1 Da
• Monoisotopic Mass: 161.1 Da
• Topological Polar Surface Area: 27.600 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 32.200
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Yiman Zhang, Shiying Fan, Xinyong Li, Liang Wang, Zhifan Yin, Penglei Wang, Moses O. Tadé, Shaomin Liu.  (2021)  Sea-Urchin-Like Carbon Nanospheres for Electrocatalytic Dechlorination of 1,2-Dichloroethane.  ACS Applied Nano Materials,      [PMID:] [10.1021/acsanm.1c02621]