[bis(dimethylamino)phosphoryl]dimethylamine

• ChemBase ID: 76925
• Molecular Formular: C6H18N3OP
• Molecular Mass: 179.200381
• Monoisotopic Mass: 179.11874884
• SMILES: N(C)(C)P(=O)(N(C)C)N(C)C
• Canonical SMILES: CN(P(=O)(N(C)C)N(C)C)C
• InChI: InChI=1S/C6H18N3OP/c1-7(2)11(10,8(3)4)9(5)6/h1-6H3
• InChIKey: GNOIPBMMFNIUFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [bis(dimethylamino)phosphoryl]dimethylamine
• IUPAC Traditional name: hexamethylphosphoramide
• Synonyms: N,N,N',N',N'',N''-Hexamethylphosphoric triamide; Tris(dimethylamino)phosphine oxide; HMPA; Hexamethylphosphoramide; Hexamethylphosphoramide; Hexametapol; Hexamethylphosphoric acid triamide; 三(二甲氨基)氧膦; 六甲基磷酸三胺; 六甲基磷酰三胺

Database IDs

• CAS Number: 680-31-9
• EC Number: 211-653-8
• MDL Number: MFCD00008303
• Beilstein Number: 1099903
• PubChem SID: 162041824; 24874615; 24895433
• PubChem CID: 12679
• CHEBI ID: 24565
• Chemspider ID: 12158
• KEGG ID: C19250
• Wikipedia Title: Hexamethylphosphoramide

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.4026855
• LogD (pH = 7.4): -1.4026754
• Log P: -1.4026753
• Molar Refractivity: 48.6383 cm^3
• Polarizability: 19.64212 Å^3
• Polar Surface Area: 26.79 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 7 °C(lit.); 7°C; 7.20°C
• Boiling Point: 230-232 °C/740 mmHg(lit.); 230-232°C/740mm; 232.5°C (CRC); 233 °C; 233°C
• Flash Point: 144 °C; 144°C; 291.2 °F
• Density: 1.03; 1.03 at 20 °C (water = 1); 1.03 g/cm^3; 1.03 g/ml; 1.03 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.459; n20/D 1.459(lit.)
• Vapor Pressure: 0.03 mm Hg at Room temperature, 0.07 mm Hg at 25 °C; 0.07 mmHg ( 25 °C)
• Vapor Density: 6.18 (vs air)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Harmful/Carcinogenic/Mutagenic/Air Sensitive/Moisture Sensitive/Store under Argon
• RTECS: TD0875000
• European Hazard Symbols: Nature polluting (N); Toxic (T); Harmful (Xn)
• UN Number: 2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: III
• Australian Hazchem: 2X
• Risk Statements: 45-46; R:45-46; R:45-46-58
• Safety Statements: 53-45; S:45-53; S:45-53-61
• EU Classification: T1
• EU Hazard Identification Number: 6.1B
• Emergency Response Guidebook(ERG) Number: 153
• GHS Pictograms: GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H340-H350
• GHS Precautionary statements: P201-P308 + P313
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ~99%; ≥98.0% (GC); 97%; 99%
• Grade: purum
• Impurities: ≤2.0% water (Karl Fischer)
• Linear Formula: [(CH3)2N]3PO

DETAILS

MP Biomedicals - 02151251

1 ml = approx. 1.02 g
Purity: ~99%

Sigma Aldrich - H11602

Application
Useful aprotic solvent.
Packaging
5, 100, 500 g in glass bottle