Tributyl borate - CP, ≥98% , CAS No.688-74-4

CAS: 688-74-4 Cat. No.: T104059 Molecular Weight: 230.15 Beilstein Registry Number: 1703865 EC Number: 211-706-5 PubChem CID: 12712

GRADE & PURITY CP, ≥98%

Synonyms

BRN 1703865 | BUTYL BORATE, B(OBU)3 | C12H27BO3 | J-650122 | 4-01-00-01544 (Beilstein Handbook Reference) | AI3-11060 | AKOS015950626 | Tri-n-butyl borate | X3UQ8D0UED | SCHEMBL50476 | Tributoxyboron | UNII-X3UQ8D0UED | B0518 | Butyl borate, (BuO)3B | n-B

Storage

Room temperature,Argon charged,Desiccated,Cool

Shipped In

Normal

Specifications

Synonyms

BRN 1703865 | BUTYL BORATE, B(OBU)3 | C12H27BO3 | J-650122 | 4-01-00-01544 (Beilstein Handbook Reference) | AI3-11060 | AKOS015950626 | Tri-n-butyl borate | X3UQ8D0UED | SCHEMBL50476 | Tributoxyboron | UNII-X3UQ8D0UED | B0518 | Butyl borate, (BuO)3B | n-B

Specifications & Purity

CP, ≥98%

Storage

Room temperature, Argon charged, Desiccated, Cool

Shipped In

Normal

Grade

CP

Purity

≥98%

Names and Identifiers

• Canonical Smiles: B(OCCCC)(OCCCC)OCCCC
• IUPAC Name: tributyl borate
• InChIKey: LGQXXHMEBUOXRP-UHFFFAOYSA-N
• INCHI: 1S/C12H27BO3/c1-4-7-10-14-13(15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3
• Isomeric SMILES: B(OCCCC)(OCCCC)OCCCC
• WGK Germany: 3
• RTECS: ED4900000
• PubChem CID: 12712
• UN Number: 1993
• Packing Group: I
• Molecular Weight: 230.15
• Beilstein: 1703865

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organic oxoanionic compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: 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

Chemical and Physical Properties

• Sensitivity: Hygroscopic.
• Refractive Index: 1.41
• Flash Point(°F): 199°F
• Flash Point(°C): 93℃
• Boil Point(°C): 230-235°C
• Melt Point(°C): -70°C
• Molecular Weight: 230.150 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 12
• 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: 110.000
• 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

References

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