chlorodicyclohexylphosphane

• ChemBase ID: 147876
• Molecular Formular: C12H22ClP
• Molecular Mass: 232.729841
• Monoisotopic Mass: 232.11476501
• SMILES: C1CCC(CC1)P(C1CCCCC1)Cl
• Canonical SMILES: ClP(C1CCCCC1)C1CCCCC1
• InChI: InChI=1S/C12H22ClP/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2
• InChIKey: AKJFBIZAEPTXIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: chlorodicyclohexylphosphane
• IUPAC Traditional name: chlorodicyclohexylphosphane
• Synonyms: Dicyclohexylchlorophosphine; Dicyclohexylphosphine chloride; Dicyclohexylphosphinous chloride; Chlorodicyclohexylphosphine; Chlorodicyclohexylphosphine; Dicyclohexylchlorophosphine; 二环己基氯化膦; 二环己氯化膦

Database IDs

• CAS Number: 16523-54-9
• MDL Number: MFCD00014294
• PubChem SID: 24871756; 162242058
• PubChem CID: 2734135

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.0156627
• LogD (pH = 7.4): 4.0160947
• Log P: 4.0161
• Molar Refractivity: 64.8137 cm^3
• Polarizability: 25.905083 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Boiling Point: 165 °C/12 mmHg(lit.); 97°C/0.1mm
• Flash Point: >110°C(230°F); 113 °C; 235.4 °F
• Density: 1.054; 1.054 g/mL at 25 °C(lit.)
• Refractive Index: 1.5330; n20/D 1.533(lit.)

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: 3265; UN3265
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 14-34
• Safety Statements: 26-27-36/37/39-45; 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3265 8/PG 2
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Purity: 97%; 98+%
• Linear Formula: (C6H11)2PCl

DETAILS

Sigma Aldrich - 481408

Packaging
1, 5 g in glass bottle