trimethoxy-1,3,5,2,4,6-trioxatriborinane

• ChemBase ID: 151524
• Molecular Formular: C3H9B3O6
• Molecular Mass: 173.53296
• Monoisotopic Mass: 174.06782921
• SMILES: B1(OB(OB(O1)OC)OC)OC
• Canonical SMILES: COB1OB(OC)OB(O1)OC
• InChI: InChI=1S/C3H9B3O6/c1-7-4-10-5(8-2)12-6(9-3)11-4/h1-3H3
• InChIKey: ZFMOJHVRFMOIGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethoxy-1,3,5,2,4,6-trioxatriborinane
• IUPAC Traditional name: boroxin, trimethoxy-
• Synonyms: Trimethoxyboroxine; 三甲氧基硼氧六环

Database IDs

• CAS Number: 102-24-9
• EC Number: 203-016-8
• MDL Number: MFCD00005946
• Beilstein Number: 1709158
• PubChem SID: 162245677; 24900241
• PubChem CID: 66880

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4151
• LogD (pH = 7.4): 1.4151
• Log P: 1.4151
• Molar Refractivity: 60.4854 cm^3
• Polarizability: 14.808456 Å^3
• Polar Surface Area: 67.11 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 10 °C(lit.)
• Boiling Point: 130 °C(lit.)
• Flash Point: 48.2 °F; 9 °C
• Density: 1.195 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4(lit.)
• Vapor Pressure: 30 mmHg ( 25 °C)

Safety Information

• RTECS: ED8720000
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2924
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-34
• Safety Statements: 9-16-26-33-36/37/39-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H314
• GHS Precautionary statements: P210-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2924 3/PG 2

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C3H9B3O6

DETAILS

Sigma Aldrich - T70203

Packaging
100 g in Sure/Seal™