N,N-dimethylbenzamide

• ChemBase ID: 109884
• Molecular Formular: C9H11NO
• Molecular Mass: 149.18974
• Monoisotopic Mass: 149.08406398
• SMILES: CN(C)C(=O)c1ccccc1
• Canonical SMILES: CN(C(=O)c1ccccc1)C
• InChI: InChI=1S/C9H11NO/c1-10(2)9(11)8-6-4-3-5-7-8/h3-7H,1-2H3
• InChIKey: IMNDHOCGZLYMRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethylbenzamide
• IUPAC Traditional name: N,N-dimethylbenzamide
• Synonyms: N,N-DIMETHYLBENZAMIDE; N,N-Dimethylbenzamide; N,N-二甲基苯甲酰胺

Database IDs

• CAS Number: 611-74-5
• EC Number: 210-279-2
• MDL Number: MFCD00008320
• Beilstein Number: 774955
• PubChem SID: 24856689; 162095292
• PubChem CID: 11916

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.2712381
• LogD (pH = 7.4): 1.2712382
• Log P: 1.2712382
• Molar Refractivity: 44.9298 cm^3
• Polarizability: 16.840927 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 42-45°C; 43-45 °C(lit.)
• Boiling Point: 132-133 °C/15 mmHg(lit.); 132-133°C/15mm
• Flash Point: >110°C(230°F); 113 °C; 235.4 °F

Safety Information

• RTECS: CV4500000
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36; 26-36/37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-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: 98+%; 99%
• Linear Formula: C6H5CON(CH3)2

DETAILS

MP Biomedicals - 05212894

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 276170

Application
Reagent for deoxygenation of secondary alcohols.
Packaging
25, 100, 500 g in glass bottle

REFERENCES

• Has been used as an acylating agent for alkynyl boranes: Chem. Lett., 35 (1983).Similarly, reacts with Grignard reagents in ether, to give phenyl ketones in good yields: Synthesis, 228 (1984). For o-lithiation of N,N-dialkylbenzamides, see N,N-Diethylbenzamide, L08427 and N,N-Diisopropylbenzamide, B22918.