butyltriphenylphosphanium chloride

• ChemBase ID: 137861
• Molecular Formular: C22H24ClP
• Molecular Mass: 354.852721
• Monoisotopic Mass: 354.13041508
• SMILES: CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
• Canonical SMILES: CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
• InChI: InChI=1S/C22H24P.ClH/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-18H,2-3,19H2,1H3;1H/q+1;/p-1
• InChIKey: MFIUDWFSVDFDDY-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: butyltriphenylphosphanium chloride
• IUPAC Traditional name: butyltriphenylphosphanium chloride
• Synonyms: Butyltriphenylphosphonium chloride; Butyltriphenylphosphonium chloride; 丁基三苯基氯化膦

Database IDs

• CAS Number: 13371-17-0
• EC Number: 236-443-3
• MDL Number: MFCD00040546
• PubChem SID: 162232122; 24868584
• PubChem CID: 166797

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.95169
• LogD (pH = 7.4): 5.95169
• Log P: 5.95169
• Molar Refractivity: 101.0948 cm^3
• Polarizability: 39.9749 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 226-230 °C(lit.)

Safety Information

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

Product Information

• Purity: 95+%; 97%
• Linear Formula: CH3(CH2)3P(C6H5)3Cl