{[bis(propan-2-yl)amino](chloro)phosphanyl}bis(propan-2-yl)amine

• ChemBase ID: 149365
• Molecular Formular: C12H28ClN2P
• Molecular Mass: 266.790881
• Monoisotopic Mass: 266.16786322
• SMILES: CC(C)N(C(C)C)P(N(C(C)C)C(C)C)Cl
• Canonical SMILES: CC(N(P(N(C(C)C)C(C)C)Cl)C(C)C)C
• InChI: InChI=1S/C12H28ClN2P/c1-9(2)14(10(3)4)16(13)15(11(5)6)12(7)8/h9-12H,1-8H3
• InChIKey: FEHUTHGOLLQBNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[bis(propan-2-yl)amino](chloro)phosphanyl}bis(propan-2-yl)amine
• IUPAC Traditional name: [chloro(diisopropylamino)phosphanyl]diisopropylamine
• Synonyms: Chlorobis(N,N-diisopropyl)phosphoramidite; Chlorobis(N,N-diisopropylamino)phosphine; Tetraisopropylphosphorodiamidous chloride; Bis(diisopropylamino)chlorophosphine; Bis(diisopropylamino)chlorophosphine; 双(二异丙基氨基)氯膦

Database IDs

• CAS Number: 56183-63-2
• MDL Number: MFCD00061482
• PubChem SID: 24860930; 162243532
• PubChem CID: 2733425

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.357872
• LogD (pH = 7.4): 3.3999417
• Log P: 3.5641
• Molar Refractivity: 77.4287 cm^3
• Polarizability: 30.428244 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 100-104 °C(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3261
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 1
• Risk Statements: 14-34
• Safety Statements: 26-27-28-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: 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 1
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Purity: ≥95.0%
• Linear Formula: [[(CH3)2CH]2N]2PCl

DETAILS

Sigma Aldrich - 341347

Other Notes
Contains varying amounts of diisopropylamine hydrochloride
Packaging
1, 5 g in glass bottle