dimethyl phenylphosphonite

• ChemBase ID: 150267
• Molecular Formular: C8H11O2P
• Molecular Mass: 170.145501
• Monoisotopic Mass: 170.04966622
• SMILES: COP(c1ccccc1)OC
• Canonical SMILES: COP(c1ccccc1)OC
• InChI: InChI=1S/C8H11O2P/c1-9-11(10-2)8-6-4-3-5-7-8/h3-7H,1-2H3
• InChIKey: LMZLQYYLELWCCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl phenylphosphonite
• IUPAC Traditional name: dimethyl phenylphosphonite
• Synonyms: Phenyldimethoxyphosphine; Dimethoxyphenylphosphine; Dimethyl phenylphosphonite; Phenylphosphonous acid dimethyl ester; 二甲氧基苯膦; 二甲基苯基膦酸盐; 苯基磷酸二甲酯

Database IDs

• CAS Number: 2946-61-4
• EC Number: 220-960-6
• MDL Number: MFCD00008352
• Beilstein Number: 1073018
• PubChem SID: 24848956; 162244428
• PubChem CID: 76277

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2856
• LogD (pH = 7.4): 2.2856
• Log P: 2.2856
• Molar Refractivity: 44.7681 cm^3
• Polarizability: 18.09812 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: >110°C(230°F); 113 °C; 235.4 °F
• Density: 1.072; 1.072 g/mL at 25 °C(lit.)
• Refractive Index: 1.5290; n20/D 1.529(lit.)

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Corrosive (C); Irritant (Xi)
• UN Number: 1760
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34; 36/37/38
• Safety Statements: 26-36/37/39-45; 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A; 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 1760 8/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: 97%; 98%
• Linear Formula: C6H5P(OCH3)2

DETAILS

Sigma Aldrich - 149470

Packaging
1, 5 g in glass bottle