4-[4-(dimethylamino)benzoyl]-N,N-dimethylaniline

• ChemBase ID: 109711
• Molecular Formular: C17H20N2O
• Molecular Mass: 268.3535
• Monoisotopic Mass: 268.15756327
• SMILES: CN(C)c1ccc(cc1)C(=O)c1ccc(cc1)N(C)C
• Canonical SMILES: CN(c1ccc(cc1)C(=O)c1ccc(cc1)N(C)C)C
• InChI: InChI=1S/C17H20N2O/c1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4/h5-12H,1-4H3
• InChIKey: VVBLNCFGVYUYGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-(dimethylamino)benzoyl]-N,N-dimethylaniline
• IUPAC Traditional name: 4-[4-(dimethylamino)benzoyl]-N,N-dimethylaniline; michler's ketone
• Synonyms: 4,4'-bis(DIMETHYLAMINO)BENZOPHENONE; 4,4′-Bis(dimethylamino)benzophenone; Michler’s ketone; 4,4'-Bis(dimethylamino)benzophenone; Michler's Ketone; 4-{[4-(dimethylamino)phenyl]carbonyl}-N,N-dimethylaniline; 4,4′-双(二甲氨基)二苯甲酮; Michler 酮; 米氏酮

Database IDs

• CAS Number: 90-94-8
• EC Number: 202-027-5
• MDL Number: MFCD00008312
• Beilstein Number: 790733
• Merck Index: 146177
• PubChem SID: 24885973; 162090485; 24848830
• PubChem CID: 7031

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.641342
• LogD (pH = 7.4): 3.6485937
• Log P: 3.6486866
• Molar Refractivity: 85.4907 cm^3
• Polarizability: 31.646404 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: ethanol: soluble5 mg/mL, clear
• Melting Point: 172°C; 172-175 °C; 173-176 °C; 174 - 176°C; 174-176 °C(lit.); 174-176°C
• Boiling Point: >360°C
• Flash Point: 220°C(428°F)
• Hydrophobicity(logP): 3.914

Safety Information

• RTECS: DJ0250000
• European Hazard Symbols: Toxic (T)
• German water hazard class: 3
• Risk Statements: 45-41-68; R:45
• Safety Statements: 53-45; S:28-36/37/39-45-53
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H318-H341-H350; H350-H341-H318
• GHS Precautionary statements: P201-P280-P305 + P351 + P338-P308 + P313; P280-P281-P305+P351+P338-P310-P405-P501A
• 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

Product Information

• Purity: ≥96.0% (NT); ≥99.0% (HPLC); 95%; 98%
• Grade: puriss.; purum
• Ignition Residue: ≤0.05%
• Linear Formula: [(CH3)2NC6H4]2CO

DETAILS

MP Biomedicals - 05212306

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 147834

Packaging
100, 500 g in poly bottle

REFERENCES

• Photosensitizer. For details of use in the photodimerization of 1,3-butadiene to 1,2-divinylcyclobutane, see: Org. Synth. Coll., 5, 528 (1973).
• Used in the Gilman color test for the presence of Grignard reagents; Org. Synth. Coll., 1, 190 (1941).