morpholine-4-carbaldehyde

• ChemBase ID: 69944
• Molecular Formular: C5H9NO2
• Molecular Mass: 115.13046
• Monoisotopic Mass: 115.06332853
• SMILES: N1(CCOCC1)C=O
• Canonical SMILES: O=CN1CCOCC1
• InChI: InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2
• InChIKey: LCEDQNDDFOCWGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: morpholine-4-carbaldehyde
• IUPAC Traditional name: N-formylmorpholine
• Synonyms: 4-Formylmorpholine; Morpholine-1-carboxaldehyde; 4-Morpholinecarboxaldehyde; 4-Formylmorpholine; 4-吗啉甲醛; N-甲酰吗啉; 4-甲酰基吗啉

Database IDs

• CAS Number: 4394-85-8
• EC Number: 224-518-3
• MDL Number: MFCD00006170
• Beilstein Number: 110293
• PubChem SID: 162035669; 24855051; 24871342
• PubChem CID: 20417

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.85013545
• LogD (pH = 7.4): -0.8501354
• Log P: -0.8501354
• Molar Refractivity: 28.8433 cm^3
• Polarizability: 11.166473 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 20-23 °C(lit.); 20-23°C
• Boiling Point: 236-237 °C(lit.); 239-241°C
• Flash Point: 118°C(244°F); 125 °C; 257 °F
• Density: 1.145 g/mL at 25 °C(lit.); 1.15 g/ml; 1.150
• Refractive Index: 1.4860; n20/D 1.485(lit.); n20/D 1.486

Safety Information

• Storage Condition: 2-8°C
• Storage Warning: Hygroscopic; IRRITANT
• RTECS: QD9694000
• German water hazard class: 3
• TSCA Listed: false; 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H319
• GHS Precautionary statements: P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Gloves; Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Purity: ≥98.0% (GC); 95+%; 98%; 99%
• Grade: purum
• Empirical Formula (Hill Notation): C5H9NO2

DETAILS

MP Biomedicals - 02158185

1 ml = approx. 1.15 g

Sigma Aldrich - 250376

Packaging
100, 500 g in poly bottle

Sigma Aldrich - 47721

Other Notes
Reagent for the synthesis of aldehydes from Grignard or organo-lithium compounds1,2