Structure

Tributyl Borate

CAS
688-74-4
Catalog Number
ACM688744
Category
Borate
Molecular Weight
230.15
Molecular Formula
C12H27BO3

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Specification

Description
Tributyl borate is a water-white liquid. (NTP, 1992);Liquid
Synonyms
Boric acid (H3BO3), tributyl ester; n-Butyl borate; Borester 2; Boric acid, tributyl ester; Boron tributoxide; Butyl borate; Tri-n-butoxyborane; Tri-n-butyl borate; Tributoxyborane; Tributoxyboron; Tributyl orthoborate; Tris(butoxy)borane; (n-C4H9O)3B; Boric acid tri-n-butyl ester; Borane, tributoxy-; Butyl borate, (BuO)3B; Butyl borate, tri-; Tributylester kyseliny borite; NSC 779;TRI-N-BUTOXYBORANE; TRI-N-BUTYL BORATE; TRIBUTYL BORATE-11B; TRIBUTOXYBORANE; TRIBUTOXYBORANE-11B; (n-C4H9O)3B; Borane, tributoxy-; borane,tributoxy;Tributyl borate;Borane, tributoxy-; Borester; Boric acid, tributyl ester; Boron tributoxide; Butyl borate N-Butyl borate; Butyl borate, tri-; Tributoxyborane; Tri-N-butoxyborane; Tri-N-butyl borate
IUPAC Name
tributyl borate
SMILES
B(OCCCC)(OCCCC)OCCCC
InChI
1S/C12H27BO3/c1-4-7-10-14-13(15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3
InChI Key
LGQXXHMEBUOXRP-UHFFFAOYSA-N
Boiling Point
114-115 °C12 mm Hg
Melting Point
-70 °C
Flash Point
200 °F
Density
0.853 g/mL at 25 °C
Solubility
decomposes
Appearance
Colorless clear liquid
Application
Catalyst, Flame Retardant, Acid, Flux
Storage
Store under inert gas
Color/Form
Water-white liquid;Colorless, mobile, moisture sensitive liquid
Complexity
110
Condition To Avoid
Moisture Sensitive
Covalently-Bonded Unit Count
1
Decomposition
When heated to decomposition or on contact with acid or acid fumes it can emit toxic fumes.
EC Number
211-706-5
Exact Mass
230.205325g/mol
Formal Charge
0
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.H227 : Combustible liquid.
H-Bond Acceptor
3
H-Bond Donor
0
Heavy Atom Count
16
MDL Number
MFCD00009434
Monoisotopic Mass
230.205325g/mol
Notes
Tributyl borate uses and applications include: Welding fluxes; intermediate in preparation of borohydrides; flame retardant for textiles; oxidation catalyst; gellant; glass treatment for fluorescent lamps Suggested storage of Tributyl borate: Moisture-sensitive; keep tightly closed; store refrigerated; store under nitrogen; protect from moisture; keep away from oxidizing materials
NSC Number
779
Odor
Like n-butanol
Other Experimental
Distillation range, 85% distills between 135 and 140 °C at 40 mm Hg; hydrolyzes rapidly;Dissolves in water with hydrolysis to form boric acid and the corresponding alcohol or phenol /Boric acid esters/
Precautionary Statements
P501 : Dispose of contents/ container to an approved waste disposal plant.P210 : Keep away from heat/sparks/open flames/hot surfaces. No smoking.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P370 + P378 : In case of fire: Use dry sand, dry chemical or alcohol-resistant foam to extinguish.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.P403 + P235 : Store in a well-ventilated place. Keep cool.
Refractive Index
1.409
Rotatable Bond Count
12
Safety Description
26-36/37/39-37/39
Signal Word
Warning
Specific Gravity
0.86
Stability
Stables, but reacts rapidly with moisture, water. Reacts vigorously with oxidizing agents. Incompatible with strong acids.
Supplemental Hazard Statements
H227-H315-H319-H303-H335
Symbol
GHS07
UNII
X3UQ8D0UED
UN Number
1993
Vapor Density
7.95 (NTP, 1992) (Relative to Air);7.94 (Air = 1)
Vapor Pressure
0.53 mmHg;0.526 mm Hg at 25 °C
Viscosity
1.601 centipoise at 25 °C

Downstream Synthesis Route 1

  • 19162-80-2
  • 60-29-7
  • 688-74-4
  • 162607-17-2

Reference: [1]Arkiv foer Kemi,1957,vol. 11,p. 373,379, 380

Downstream Synthesis Route 2

  • 3277-89-2
  • 688-74-4
  • 34420-17-2

Reference: [1]Journal of the American Chemical Society,1934,vol. 56,p. 1850,1856

Downstream Synthesis Route 3

  • 16567-18-3
  • 688-74-4
  • 86-58-8

Reference: [1]Journal of the American Chemical Society,1959,vol. 81,p. 498,501

Downstream Synthesis Route 4

  • 1003-09-4
  • 688-74-4
  • 6165-68-0

Reference: [1] Patent: US6034093, 2000, A,

Downstream Synthesis Route 5

  • 2786-07-4
  • 60-29-7
  • 688-74-4
  • 6165-68-0

Reference: [1] Arkiv foer Kemi, 1957, vol. 11, p. 373,379, 380

Downstream Synthesis Route 6

  • 1192-06-9
  • 60-29-7
  • 688-74-4
  • 6165-69-1

Reference: [1] Arkiv foer Kemi, 1957, vol. 11, p. 373,379, 380

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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