trimethyl phosphite

• ChemBase ID: 104756
• Molecular Formular: C3H9O3P
• Molecular Mass: 124.075521
• Monoisotopic Mass: 124.02893078
• SMILES: COP(OC)OC
• Canonical SMILES: COP(OC)OC
• InChI: InChI=1S/C3H9O3P/c1-4-7(5-2)6-3/h1-3H3
• InChIKey: CYTQBVOFDCPGCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethyl phosphite
• IUPAC Traditional name: trimethyl phosphite
• Synonyms: P(OMe)3; Trimethyl phosphite; Methyl Phosphite; Phosphorous Acid, Trimethyl Ester; Trimethoxyphosphine; TRIMETHYLPHOSPHITE; Trimethyl phosphite; Trimethyl phosphite solution; 亚磷酸三甲酯; 三甲氧基磷; 亚磷酸三甲酯; 亚磷酸三甲酯 溶液

Database IDs

• CAS Number: 121-45-9
• EC Number: 204-471-5
• MDL Number: MFCD00008350
• Beilstein Number: 956570
• PubChem SID: 162093295; 24854442; 24867000; 24900488; 24859579
• PubChem CID: 8472
• Chemspider ID: 8159
• Wikipedia Title: Trimethyl_phosphite

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.90589994
• LogD (pH = 7.4): 0.9059
• Log P: 0.9059
• Molar Refractivity: 27.9767 cm^3
• Polarizability: 11.17346 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: organic solvents
• Apperance: colorless liquid; liquid; Liquid
• Melting Point: -78 °C; -78 °C(lit.); -78°C; -78°C
• Boiling Point: 111°C; 111-112 °C; 111-112 °C(lit.); 111-112°C
• Flash Point: -19 °C; -2.2 °F; 27.7°C; 27°C(80°F); 28 °C; 82.4 °F
• Density: 1.046 at 20 °C; 1.052; 1.052 g/mL at 25 °C(lit.)
• Refractive Index: 1.4080; n20/D 1.408; n20/D 1.408(lit.)
• Vapor Pressure: 10 mm Hg at 12 °C, 24 mm Hg at 25 °C, 100 mm Hg at 55 °C; 17 mmHg ( 20 °C)
• Vapor Density: 4.3 (air = 1); 4.3 (vs air)
• Ligand For: Heck Reaction; Suzuki-Miyaura Coupling

Safety Information

• Storage Condition: Room Temperature (15-30°C), Desiccate, Store Under Nitrogen
• Storage Warning: Air & Moisture Sensitive
• RTECS: TH1400000
• European Hazard Symbols: Flammable (F); Toxic (T); X; Irritant (Xi); Harmful (Xn)
• UN Number: 1993; 2329; UN2329
• German water hazard class: 1; 3
• Hazard Class: 3
• Packing Group: 2; 3; III
• Australian Hazchem: 3Y
• Risk Statements: 10-22-36/37/38; 10-22-36/37/38-63; 10-22-37/38-41; 11-36-66-67; 45-46-11-22-36/37/38-48/23/24/25-65; R:10-22
• Safety Statements: 16-26; 23-26-36/37; 23-26-36/37-60; 26; 26-39; 53.1-26-45; S:9-16-29-36/37/39
• EU Classification: F1
• EU Hazard Identification Number: 3B
• Emergency Response Guidebook(ERG) Number: 129
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS06; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H319-H336; H226-H302-H315-H318-H335; H301-H315-H319-H335-H226-H361
• GHS Precautionary statements: P210-P261-P305 + P351 + P338; P210-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P280-P305 + P351 + P338
• 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 2329 3/PG 3
• Supplemental Hazard Statements: Repeated exposure may cause skin dryness or cracking.
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥97.0%; ≥99%; ≥99.0% (GC); ≥99.999% trace metals basis; 97%; 98%; 99%
• Concentration: 1% in acetone-d6 (99.9 atom % D); 25% in benzene-d6 (99.6 atom % D)
• Grade: NMR grade; NMR reference standard; puriss.
• Compostion: TMS, 6%
• Impurities: ≤0.5% trimethyl phosphate; ≤1% dimethyl phosphite; dimethyl phosphite
• NMR tube O.D. × L: 3 mm × 8 in.
• NMR tube wall thickness: 0.24 mm , ultra-thin wall
• NMR tube O.D.: 10 mm; 5 mm; 5 mm × 8 in.
• Linear Formula: (CH3O)3P

DETAILS

MP Biomedicals - 02157084

Purity: 98%
1 ml = approx. 1.05 g
NOT FOR EXPORT

Sigma Aldrich - T79707

Packaging
1 kg in glass bottle
5, 250 g in glass bottle

Sigma Aldrich - 431249

General description
Atomic number of base material: 15 Phosphorus
Packaging
25, 100 mL in glass bottle

Sigma Aldrich - 240907

Packaging
25, 100 g in glass bottle

Sigma Aldrich - 714925

Features and Benefits
31P sensitivity