tributyl(tetradecyl)phosphanium chloride

• ChemBase ID: 139239
• Molecular Formular: C26H56ClP
• Molecular Mass: 435.149601
• Monoisotopic Mass: 434.3808161
• SMILES: CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.[Cl-]
• Canonical SMILES: CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.[Cl-]
• InChI: InChI=1S/C26H56P.ClH/c1-5-9-13-14-15-16-17-18-19-20-21-22-26-27(23-10-6-2,24-11-7-3)25-12-8-4;/h5-26H2,1-4H3;1H/q+1;/p-1
• InChIKey: AKUNSPZHHSNFFX-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tributyl(tetradecyl)phosphanium chloride
• IUPAC Traditional name: tributyl(tetradecyl)phosphanium chloride
• Synonyms: Tetradecyltributylphosphonium chloride; Tributyl-tetradecylphosphonium chloride; (Tri-n-butyl)-n-tetradecylphosphonium chloride; 十四烷基三丁基氯化磷; 三丁基十四烷基氯化磷; (三丁基)正十四烷基氯化膦

Database IDs

• CAS Number: 81741-28-8
• EC Number: 279-808-2
• MDL Number: MFCD02683027
• PubChem SID: 24851716; 162233487
• PubChem CID: 9889168

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 10.017866
• LogD (pH = 7.4): 10.017866
• Log P: 10.017866
• Molar Refractivity: 129.0976 cm^3
• Polarizability: 51.81808 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 22
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Corrosive (C); Nature polluting (N); Toxic (T)
• UN Number: 3261; UN2923
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; III
• Risk Statements: 22-23-34-50/53; 22-34
• Safety Statements: 26-36/37/39-45; 26-36/37/39-45-57
• TSCA Listed: 否
• GHS Pictograms: GHS05; GHS06; GHS07; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H314; H331-H302-H314-H318-H400-H410
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3261 8/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥95.0% (AT); 97%
• Linear Formula: CH3(CH2)13P(Cl)(CH2CH2CH2CH3)3