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Tri-n-butyl Borate

CAT: 0572-TRC-T773360-25GSize: 25 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-T773360-25GSize:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
688-74-4
Synonyms
Butyl Borate; Boron Tri-n-butoxide; Tri-n-butoxyboraneTributoxyboron; Tributyl Orthoborate; Tris(butoxy)borane
Hazard Statement
Combustible liquid and vapour.
Smiles
CCCCOB(OCCCC)OCCCC
Molecular Formula
C12H27BO3
Molecular Weight
230.15
Shipping Conditions
Room Temperature

Chemical Information

Tributyl borate

Tributyl borate is a water-white liquid. (NTP, 1992)

CAS Number688-74-4
PubChem CID12712
IUPAC Nametributyl borate
Molecular FormulaC12H27BO3
Molecular Weight230.15
Topological Polar Surface Area27.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count12
Heavy Atom Count16
Formal Charge0
Complexity110
SMILES
B(OCCCC)(OCCCC)OCCCC
InChI
InChI=1S/C12H27BO3/c1-4-7-10-14-13(15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3
InChIKey
LGQXXHMEBUOXRP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tributyl borate
CAS: 688-74-4
CID: 12712
Formula: C12H27BO3
MW: 230.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight230.15
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count12
Exact Mass230.2053249
Monoisotopic Mass230.2053249
Topological Polar Surface Area27.7 Ų
Heavy Atom Count16
Formal Charge0
Complexity110
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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