4-(4-formylphenoxy)benzaldehyde

• ChemBase ID: 140931
• Molecular Formular: C14H10O3
• Molecular Mass: 226.2274
• Monoisotopic Mass: 226.06299418
• SMILES: c1cc(ccc1C=O)Oc1ccc(cc1)C=O
• Canonical SMILES: O=Cc1ccc(cc1)Oc1ccc(cc1)C=O
• InChI: InChI=1S/C14H10O3/c15-9-11-1-5-13(6-2-11)17-14-7-3-12(10-16)4-8-14/h1-10H
• InChIKey: GXZZHLULZRMUQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-formylphenoxy)benzaldehyde
• IUPAC Traditional name: 4-(4-formylphenoxy)benzaldehyde
• Synonyms: 4,4′-Diformyldiphenyl ether; 4,4′-Oxybis(benzaldehyde); 4,4′-Oxydibenzaldehyde; Bis(4-formylphenyl) ether; 4-(4-Formylphenoxy)benzaldehyde; 4,4′-二甲酰二苯基醚; 4,4′-氧二苯甲醛; 4,4′-氧双(苯甲醛); 双(4-甲酰苯基)醚; 4-(4-甲酰苯氧基)苯甲醛

Database IDs

• CAS Number: 2215-76-1
• MDL Number: MFCD08276812
• PubChem SID: 162235168; 24884523
• PubChem CID: 11368119

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8985376
• LogD (pH = 7.4): 2.8985376
• Log P: 2.8985376
• Molar Refractivity: 65.4668 cm^3
• Polarizability: 24.438704 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 63-67 °C

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 2
• Risk Statements: 22-36-43
• Safety Statements: 26-36/37
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H317-H319
• GHS Precautionary statements: P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: 96%
• Linear Formula: O(C6H4CHO)2

DETAILS

Sigma Aldrich - 661333

Packaging
1, 5 g in glass bottle