Triisobutyl borate - ≥99% , CAS No.13195-76-1

CAS: 13195-76-1 Cat. No.: B301139 Formule: C₁₂H₂₇BO₃ Poids moléculaire: 230.15

GRADE & PURITY ≥99%

Synonyms

Boric acid,tris(2-methylpropyl)ester | AS-67217 | AKOS030568374 | FT-0636830 | NCIOpen2_003016 | AT28214 | NSC65329 | NSC-65329 | F55PG38QC7 | Triisobutyl borate | Isobutyl borate, (C4H9O)3B | Boric acid (H3BO3), triisobutyl ester | DTXSID30157278 | UNII-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonymes

Boric acid,tris(2-methylpropyl)ester | AS-67217 | AKOS030568374 | FT-0636830 | NCIOpen2_003016 | AT28214 | NSC65329 | NSC-65329 | F55PG38QC7 | Triisobutyl borate | Isobutyl borate, (C4H9O)3B | Boric acid (H3BO3), triisobutyl ester | DTXSID30157278 | UNII-

Spécifications et pureté

≥99%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥99%

Noms et identifiants

Sourires canoniques

B(OCC(C)C)(OCC(C)C)OCC(C)C

IUPAC Name

tris(2-methylpropyl) borate

InChIKey

LHJSLDBKUGXPMI-UHFFFAOYSA-N

INCHI

1S/C12H27BO3/c1-10(2)7-14-13(15-8-11(3)4)16-9-12(5)6/h10-12H,7-9H2,1-6H3

Isomères SMILES

B(OCC(C)C)(OCC(C)C)OCC(C)C

Poids moléculaire

230.15

Reaxy-Rn

1703849

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1703849&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organic oxoanionic compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organic oxoanionic compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic oxoanionic compounds
• Alternative Parents: Organic metalloid salts Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic borate - Organic metalloid salt - Hydrocarbon derivative - Organic salt - Organooxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic oxoanionic compounds. These are organic compounds containing an oxoanion.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 230.150 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 230.205 Da
• Monoisotopic Mass: 230.205 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 132.000
• 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: 1

XLogP3