[chloro(diethylamino)phosphanyl]diethylamine

• ChemBase ID: 151886
• Molecular Formular: C8H20ClN2P
• Molecular Mass: 210.684561
• Monoisotopic Mass: 210.10526296
• SMILES: CCN(CC)P(N(CC)CC)Cl
• Canonical SMILES: CCN(P(N(CC)CC)Cl)CC
• InChI: InChI=1S/C8H20ClN2P/c1-5-10(6-2)12(9)11(7-3)8-4/h5-8H2,1-4H3
• InChIKey: JVEHJSIFWIIFHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [chloro(diethylamino)phosphanyl]diethylamine
• IUPAC Traditional name: [chloro(diethylamino)phosphanyl]diethylamine
• Synonyms: Bis(diethylamino)chlorophosphine; Bis(diethylamino)phosphorochloridite; Chlorobis(diethylamino)phosphine; 双(二乙基氨基)氯膦

Database IDs

• CAS Number: 685-83-6
• MDL Number: MFCD00015493
• PubChem SID: 24862321; 162246032
• PubChem CID: 2733351

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.610051
• LogD (pH = 7.4): 1.9060477
• Log P: 1.9117
• Molar Refractivity: 59.7535 cm^3
• Polarizability: 23.06342 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 55-57 °C/0.2 mmHg(lit.); 55-57°C/0.2mm
• Flash Point: 101 °C; 101°C(214°F); 213.8 °F
• Density: 1.002; 1.002 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4895(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: 23-26-36-36/37/39-45; 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318
• GHS Precautionary statements: P280-P305 + P351 + P338-P310; P280-P305+P351+P338-P309-P310-P402
• 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: 94%; 97%
• Linear Formula: [(C2H5)2N]2PCl

DETAILS

Sigma Aldrich - 362565

Packaging
5 g in glass bottle