phenylphosphane

• ChemBase ID: 135536
• Molecular Formular: C6H7P
• Molecular Mass: 110.093541
• Monoisotopic Mass: 110.02853685
• SMILES: c1ccc(cc1)P
• Canonical SMILES: Pc1ccccc1
• InChI: InChI=1S/C6H7P/c7-6-4-2-1-3-5-6/h1-5H,7H2
• InChIKey: RPGWZZNNEUHDAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phenylphosphane
• IUPAC Traditional name: phenylphosphine
• Synonyms: Phenylphosphine; 苯基膦; 苯膦

Database IDs

• CAS Number: 638-21-1
• EC Number: 211-325-4
• MDL Number: MFCD00002094
• Beilstein Number: 741946
• PubChem SID: 24885212; 162229810
• PubChem CID: 12519

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.2502
• LogD (pH = 7.4): 1.2502
• Log P: 1.2502
• Molar Refractivity: 32.2743 cm^3
• Polarizability: 13.071967 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Boiling Point: 160 °C(lit.); 160°C
• Flash Point: -14.8 °F; 163.4 °F; -26 °C; 73 °C
• Density: 0.6912 g/mL at 25 °C; 1.00; 1.001 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.578(lit.)
• Vapor Pressure: 760 mmHg ( 160 °C)
• Vapor Density: 3.79 (vs air)

Safety Information

• Storage Warning: Air & Moisture Sensitive
• RTECS: SZ2100000
• European Hazard Symbols: Flammable (F); Nature polluting (N); Toxic (T); X; Harmful (Xn)
• UN Number: 2845; 3384; UN2845
• German water hazard class: 3
• Hazard Class: 4.2; 6.1
• Packing Group: 1; I
• Risk Statements: 11-20/21/22-38-48/20-51/53-62-65; 17-20-36/37/38; 17-23/24/25-36/37/38
• Safety Statements: 16-26-36/37/39-45; 16-36/37-61-62; 26-33-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS06; GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H250-H302-H304-H315-H319-H336-H361f-H373-H411; H250-H252-H332-H315-H319-H335-H227; H250-H301 + H311 + H331-H315-H319-H335
• GHS Precautionary statements: P210-P222-P231-P261-P273-P422; P210-P222-P305+P351+P338-P405-P422A-P501A; P222-P231-P261-P280-P301 + P310-P422
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2845 4.2/PG 1; UN 3384 6.1/PG 1
• Storage Temperature: -20°C

Product Information

• Purity: 98%
• Linear Formula: C6H5PH2

DETAILS

Sigma Aldrich - 674389

Packaging
50 mL in glass bottle