dibutyl(chloro)phosphane

• ChemBase ID: 135810
• Molecular Formular: C8H18ClP
• Molecular Mass: 180.655281
• Monoisotopic Mass: 180.08346489
• SMILES: CCCCP(CCCC)Cl
• Canonical SMILES: CCCCP(CCCC)Cl
• InChI: InChI=1S/C8H18ClP/c1-3-5-7-10(9)8-6-4-2/h3-8H2,1-2H3
• InChIKey: QPAZMDLULSVYMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dibutyl(chloro)phosphane
• IUPAC Traditional name: dibutyl(chloro)phosphane
• Synonyms: NSC 203027; Dibutylphosphinous chloride; Dibutylchlorophosphine; 氯化二丁基膦; 二丁基氯化膦

Database IDs

• CAS Number: 4323-64-2
• MDL Number: MFCD08277007
• PubChem SID: 24873341; 162230081
• PubChem CID: 305896

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.331057
• LogD (pH = 7.4): 3.3310995
• Log P: 3.3311
• Molar Refractivity: 50.5881 cm^3
• Polarizability: 19.995493 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Refractive Index: n20/D 1.474

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2845
• German water hazard class: 3
• Hazard Class: 4.2
• Packing Group: 1
• Risk Statements: 17-34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H250-H314
• GHS Precautionary statements: P222-P231-P280-P305 + P351 + P338-P310-P422
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2845 4.2/PG 1

Product Information

• Purity: ≥97.0%
• Linear Formula: (CH3CH2CH2CH2)2PCl

DETAILS

Sigma Aldrich - 50198

Caution
may become turbid on storage
Packaging
1, 5 mL in glass bottle
Application
Reactant for:Preparationf of phosphorus-substituted dialkylamides of organophosphorus acids1Lewis acid catalyzed Diels-Alder reactions2Preparation of phosphinoalkynes via Pd- and Ni-catalyzed cross-coupling with terminal alkynes3