bis(dimethylamino)phosphinoyl fluoride

• ChemBase ID: 156572
• Molecular Formular: C4H12FN2OP
• Molecular Mass: 154.1230442
• Monoisotopic Mass: 154.06712786
• SMILES: CN(C)P(=O)(N(C)C)F
• Canonical SMILES: CN(P(=O)(N(C)C)F)C
• InChI: InChI=1S/C4H12FN2OP/c1-6(2)9(5,8)7(3)4/h1-4H3
• InChIKey: PGJBQBDNXAZHBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(dimethylamino)phosphinoyl fluoride
• IUPAC Traditional name: dimefox
• Synonyms: Tetramethylphosphorodiamidic fluoride; Dimefox; 氟化四甲基磷二酰胺; 甲氟磷

Database IDs

• CAS Number: 115-26-4
• EC Number: 204-076-8
• MDL Number: MFCD00055417
• Beilstein Number: 1704257
• PubChem SID: 162250709
• PubChem CID: 8264

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.7973444
• LogD (pH = 7.4): -0.7973444
• Log P: -0.7973444
• Molar Refractivity: 36.2462 cm^3
• Polarizability: 13.531182 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: >100 °C; >212 °F

Safety Information

• RTECS: TD4025000
• European Hazard Symbols: Highly toxic (T+)
• UN Number: 2810
• German water hazard class: 2
• Hazard Class: 6.1
• Packing Group: 1
• Risk Statements: 27/28
• Safety Statements: 23-28-36/37-38-45
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H300-H310
• GHS Precautionary statements: P264-P280-P302 + P350-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2810 6.1/PG 1
• Storage Temperature: 2-8°C

Product Information

• Grade: PESTANAL®, analytical standard
• Empirical Formula (Hill Notation): C4H12FN2OP

DETAILS

Sigma Aldrich - 36502

Legal Information
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