(dichlorophosphanyl)bis(propan-2-yl)amine

• ChemBase ID: 138145
• Molecular Formular: C6H14Cl2NP
• Molecular Mass: 202.061821
• Monoisotopic Mass: 201.02409144
• SMILES: CC(C)N(C(C)C)P(Cl)Cl
• Canonical SMILES: CC(N(P(Cl)Cl)C(C)C)C
• InChI: InChI=1S/C6H14Cl2NP/c1-5(2)9(6(3)4)10(7)8/h5-6H,1-4H3
• InChIKey: UPPVRFOGRCBSJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (dichlorophosphanyl)bis(propan-2-yl)amine
• IUPAC Traditional name: (dichlorophosphanyl)diisopropylamine
• Synonyms: Diisopropylaminophosphordichloride; Diisopropylphosphoramidous Dichloride; Dichloro N,N-Diisopropylphosphoramidite; (Diisopropylamino)dichlorophosphine; Bis(isopropyl)aminodichlorophosphine; Dichloro(diisopropylamido)phosphorus; Dichloro(diisopropylamino)phosphine; Diisopropylphosphoramidous dichloride; 二异丙基磷光体 amidous 二氯化物

Database IDs

• CAS Number: 921-26-6
• MDL Number: MFCD00012236
• PubChem SID: 24858575; 162232403
• PubChem CID: 5139911

CALCULATED PROPERTIES

• LogD (pH = 7.4): 2.8991997
• Log P: 2.8992
• Molar Refractivity: 51.3368 cm^3
• Polarizability: 19.745947 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.8991754

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ether; Ethyl Acetate; Methanol
• Apperance: Colourless Oil
• Boiling Point: 56-58°C/15mmHg.
• Flash Point: 150.8 °F; 66 °C
• Density: 1.096 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.485(lit.)

Safety Information

• Storage Condition: Hygroscopic, Refrigerator, Under Inert Atmosphere
• European Hazard Symbols: Corrosive (C); Explosive (E)
• UN Number: 2845
• German water hazard class: 3
• Hazard Class: 4.2
• Packing Group: 1
• Risk Statements: 1-5-14-34
• Safety Statements: 15-26-27-36/37/39-45
• 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
• Supplemental Hazard Statements: Explosive when dry., Reacts violently with water.
• Storage Temperature: 2-8°C

Product Information

• Purity: 95%
• Linear Formula: [(CH3)2CH]2NPCl2

DETAILS

Sigma Aldrich - 307254

Packaging
5 g in glass bottle
Application
Reagent for the synthesis of peptides1 and oligonucleotide analogues.2

Toronto Research Chemicals - D434180

A versatile phosphitylating agent for the phosphorylation of hydroxy amino acids and the preparation of protected phosphopeptides.

REFERENCES

• Liskamp, R.M.J., et al.: Recl. Trav. Chim. Pays-Bas, 109, 27 (1990)