{[amino(phenoxy)phosphoryl]oxy}benzene

• ChemBase ID: 109135
• Molecular Formular: C12H12NO3P
• Molecular Mass: 249.202341
• Monoisotopic Mass: 249.05547988
• SMILES: NP(=O)(Oc1ccccc1)Oc1ccccc1
• Canonical SMILES: NP(=O)(Oc1ccccc1)Oc1ccccc1
• InChI: InChI=1S/C12H12NO3P/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H2,13,14)
• InChIKey: QWMUDOFWQWBHFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[amino(phenoxy)phosphoryl]oxy}benzene
• IUPAC Traditional name: {[amino(phenoxy)phosphoryl]oxy}benzene
• Synonyms: DIPHENYL PHOSPHOROAMIDATE; Diphenyl phosphoramidate; 联苯基氨基磷酸酯; 氨基磷酸二苯酯

Database IDs

• CAS Number: 2015-56-7
• EC Number: 217-945-1
• MDL Number: MFCD00014078
• Beilstein Number: 2054166
• PubChem SID: 162094969
• PubChem CID: 74836

CALCULATED PROPERTIES

• Acid pKa: 10.914069
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.4768572
• LogD (pH = 7.4): 2.4767408
• Log P: 2.4768586
• Molar Refractivity: 64.7071 cm^3
• Polarizability: 25.683744 Å^3
• Polar Surface Area: 61.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 147-151°C; 148-150 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37; 26-37/39
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C12H12NO3P

DETAILS

MP Biomedicals - 05209955

MP Biomedicals Rare Chemical collection