trimethyl borate

• ChemBase ID: 107761
• Molecular Formular: C3H9BO3
• Molecular Mass: 103.91276
• Monoisotopic Mass: 104.06447455
• SMILES: COB(OC)OC
• Canonical SMILES: COB(OC)OC
• InChI: InChI=1S/C3H9BO3/c1-5-4(6-2)7-3/h1-3H3
• InChIKey: WRECIMRULFAWHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethyl borate
• IUPAC Traditional name: trimethyl borate
• Synonyms: Trimethyl borate, azeotrope; Boric acid trimethyl ester; Methyl borate; Trimethyl borate; METHYL BORATE; Trimethyl borate; Methyl borate-11B; Trimethyl borate-11B; 硼酸三甲酯，共沸物; 三甲氧基硼烷; 硼酸甲酯; 硼酸三甲酯; 硼酸甲酯-11B; 硼酸三甲酯-11B

Database IDs

• CAS Number: 121-43-7; 3349-42-6
• EC Number: 204-468-9
• MDL Number: MFCD00008346
• Beilstein Number: 1697939
• Merck Index: 149712
• PubChem SID: 24868093; 24866770; 24868738; 162093779; 24868739; 24868324
• PubChem CID: 8470
• CHEBI ID: 38913
• Chemspider ID: 8157
• Wikipedia Title: Trimethyl_borate

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6751
• LogD (pH = 7.4): 1.6751
• Log P: 1.6751
• Molar Refractivity: 21.1407 cm^3
• Polarizability: 10.3501005 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: decomposes in water
• Apperance: clear liquid; Liquid
• Melting Point: -34; -34 °C(lit.); -34°C
• Boiling Point: 52-54°C; 53-58 °C; 67-69°C; 68 - 69°C; 68-69 °C(lit.); 68-69°C
• Flash Point: 16 °F; 17.6 °F; -8 °C; -8°C(17°F); -9 °C; -9°C(16°F)
• Density: 0.883 g/mL at 25 °C; 0.885; 0.915; 0.924 g/mL at 25 °C(lit.); 0.932 g/ml; 0.932 g/mL at 20 °C(lit.)
• Refractive Index: 1.3610; n20/D 1.346(lit.); n20/D 1.3460; n20/D 1.358; n20/D 1.358(lit.)
• Vapor Density: 3.59 (vs air)

Safety Information

• Storage Warning: Moisture Sensitive
• RTECS: ED5600000
• European Hazard Symbols: Flammable (F); Toxic (T); X; Harmful (Xn)
• UN Number: 1993; 2416; UN1993; UN2416
• German water hazard class: 1; 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 10-21; 11; 11-21; 11-21-23/25-36/37/38; 11-23/24/25-39/23/24/25; R:10-21
• Safety Statements: 16; 16-27-36/37/39-45; 2-23-25; 23-25; 7-16-23-25-36/37-45; S:23-25
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS06; GHS07; GHS08
• GHS Signal Word: Danger; Warning
• GHS Hazard statements: H225-H312; H225-H312-H319; H226-H312; H300-H330-H312-H370-H226
• GHS Precautionary statements: P210-P241-P303+P361+P353-P302+P352-P403+P235-P501A; P210-P261-P262; P210-P280-P305 + P351 + P338; P210-P301+P310-P303+P361+P353-P304+P340-P320-P330-P405-P501A; P280
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 2; UN 2416 3/PG 2

Product Information

• Purity: ≥98%; ≥99.0% (GC); ≥99.5%; ≥99.999% (purity based on trace metal impurities); 70%; 70% azeotrope with methanol; 98% (CP); 99%; 99.99% (metals basis); 99.9995+% (metals basis)
• Concentration: in methanol
• Grade: purum
• Isotopic Purity: 99 atom % 11B
• Purified By: redistillation
• Linear Formula: (CH3O)311B; B(OCH3)3
• Empirical Formula (Hill Notation): C3H9BO3

DETAILS

Sigma Aldrich - 452920

Packaging
100, 500 mL in Sure/Seal™
2 L in Sure/Seal™
Legal Information
Rohm & Haas product

Sigma Aldrich - 427616

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Sigma Aldrich - 447218

Packaging
25, 4×25, 100 mL in Sure/Seal™

Sigma Aldrich - 443999

Packaging
1 L in Sure/Seal™
100 mL in Sure/Seal™

Sigma Aldrich - 452939

Packaging
2 L in Sure/Seal™
Legal Information
Rohm & Haas product

REFERENCES

• For an example of the low temperature reaction with Grignard reagents to give boronic acids., see: Org. Synth. Coll., 4, 68 (1963).