tris(3-methylphenyl)phosphane

• ChemBase ID: 137864
• Molecular Formular: C21H21P
• Molecular Mass: 304.365201
• Monoisotopic Mass: 304.1380873
• SMILES: Cc1cccc(c1)P(c1cccc(c1)C)c1cccc(c1)C
• Canonical SMILES: Cc1cccc(c1)P(c1cccc(c1)C)c1cccc(c1)C
• InChI: InChI=1S/C21H21P/c1-16-7-4-10-19(13-16)22(20-11-5-8-17(2)14-20)21-12-6-9-18(3)15-21/h4-15H,1-3H3
• InChIKey: LFNXCUNDYSYVJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(3-methylphenyl)phosphane
• IUPAC Traditional name: tris(3-methylphenyl)phosphane
• Synonyms: Tri(m-tolyl)phosphine; Tris(3-methylphenyl)phosphine; Tris(m-tolyl)phosphine; 三(3-甲苯基)膦; 三(间甲苯)膦

Database IDs

• CAS Number: 6224-63-1
• EC Number: 228-312-4
• MDL Number: MFCD00008532
• Beilstein Number: 658863
• PubChem SID: 24857297; 162232125
• PubChem CID: 80362

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.5082
• LogD (pH = 7.4): 6.5082
• Log P: 6.5082
• Molar Refractivity: 96.7465 cm^3
• Polarizability: 37.639233 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 97-99 °C(lit.); 99-101°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98%; 98+%
• Linear Formula: (CH3C6H4)3P