tributylborane

• ChemBase ID: 137514
• Molecular Formular: C12H27B
• Molecular Mass: 182.15378
• Monoisotopic Mass: 182.22058126
• SMILES: B(CCCC)(CCCC)CCCC
• Canonical SMILES: CCCCB(CCCC)CCCC
• InChI: InChI=1S/C12H27B/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-12H2,1-3H3
• InChIKey: CMHHITPYCHHOGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tributylborane
• IUPAC Traditional name: tri-n-butylborane
• Synonyms: TBB; Tributylboron; Tributylborane; Tributylborane solution; Tri-n-butylboron; Tri-n-butylborane; Tri-n-butylborane, 1M soln. in THF; 三丁基硼烷; 三丁基硼烷 溶液; 三正丁基硼; 三正丁基硼烷, 1M THF溶液

Database IDs

• CAS Number: 122-56-5
• EC Number: 204-554-6
• MDL Number: MFCD00009423
• PubChem SID: 24857985; 162231776; 24850833; 24857950
• PubChem CID: 31216

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.5625
• LogD (pH = 7.4): 5.5625
• Log P: 5.5625
• Molar Refractivity: 57.9537 cm^3
• Polarizability: 24.941988 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Liquid
• Melting Point: -34°C
• Boiling Point: 109 °C/20 mmHg(lit.); 170°C/222-225mm
• Flash Point: 1 °F; -17 °C; -20°C(-4°F); -40 °C; -40 °F
• Density: 0.719 g/mL at 25 °C; 0.747; 0.747 g/mL at 25 °C(lit.); 0.834; 0.834 g/mL at 25 °C
• Refractive Index: 1.4285

Safety Information

• Storage Warning: Air Sensitive
• RTECS: ED1850000
• European Hazard Symbols: Corrosive (C); Flammable (F); X; Harmful (Xn)
• UN Number: 1993; 2845; UN2845; UN2924
• German water hazard class: 1
• Hazard Class: 3; 4.2
• Packing Group: 1; 2; I; II
• Risk Statements: 11-19-22-36/37/38; 11-19-34-37; 11-20/21/22-36/37/38-40; 17-22-34; 17-34
• Safety Statements: 16-23-26-36/37/39-45; 16-26-36/37/39; 16-26-36/37/39-45; 7-23-26-36/37/39-43-45; 7-26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H351-H319-H335-H303; H250-H314; H250-H314-H302
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P210-P303+P361+P353-P305+P351+P338-P405-P422A-P501A; P222-P231-P280-P305 + P351 + P338-P310-P422
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1993 3/PG 1; UN 1993 3/PG 2; UN 2845 4.2/PG 1

Product Information

• Purity: 98%
• Concentration: 1.0 M in diethyl ether; 1.0 M in THF; 1M soln. in THF
• Linear Formula: [CH3(CH2)3]3B

DETAILS

Sigma Aldrich - 298425

Packaging
50 g in Sure-Pac™
Application
Reactant for:
• Addition reactions for synthesis of phenyltrialkylborate salts1
• Boron-based multicomponent reactions for generation of substituted aziridines, oxazolidines, and pyrrolidines2
• Suzuki-Miyaura cross coupling of halopurines with trialkylboranes for the synthesis of adenosine A2A receptor antagonists3
• Multicomponent C-alkylation reactions with aromatic aldimines4
• One-pot alkylation-boration and electrophilic substitution5
Recommended products
Angled septum-inlet adapter Z118206 or straight septum-inlet adapter, 6mm I.D. inlet, Z118141 or straight septum-inlet adapter, 13mm I.D. inlet, Z118192 is recommended.

Sigma Aldrich - 297976

Packaging
100, 800 mL in Sure/Seal™
Application
Reactant for:
• Addition reactions for synthesis of phenyltrialkylborate salts1
• Boron-based multicomponent reactions for generation of substituted aziridines, oxazolidines, and pyrrolidines2
• Suzuki-Miyaura cross coupling of halopurines with trialkylboranes for the synthesis of adenosine A2A receptor antagonists3
• Multicomponent C-alkylation reactions with aromatic aldimines4
• One-pot alkylation-boration and electrophilic substitution5

Sigma Aldrich - 179906

Packaging
100 mL in Sure/Seal™
Application
Reactant for:
• Addition reactions for synthesis of phenyltrialkylborate salts1
• Boron-based multicomponent reactions for generation of substituted aziridines, oxazolidines, and pyrrolidines2
• Suzuki-Miyaura cross coupling of halopurines with trialkylboranes for the synthesis of adenosine A2A receptor antagonists3
• Multicomponent C-alkylation reactions with aromatic aldimines4
• One-pot alkylation-boration and electrophilic substitution5