2-phenoxybenzaldehyde

• ChemBase ID: 31610
• Molecular Formular: C13H10O2
• Molecular Mass: 198.2173
• Monoisotopic Mass: 198.06807956
• SMILES: c1(c(C=O)cccc1)Oc1ccccc1
• Canonical SMILES: O=Cc1ccccc1Oc1ccccc1
• InChI: InChI=1S/C13H10O2/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h1-10H
• InChIKey: IMPIIVKYTNMBCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenoxybenzaldehyde
• IUPAC Traditional name: 2-phenoxybenzaldehyde
• Synonyms: 2-Phenoxybenzenecarbaldehyde; 2-phenoxybenzaldehyde; 2-Phenoxybenzaldehyde; 2-Formyldiphenyl ether; 2-Phenoxybenzaldehyde 97%; 2-苯氧基苯甲醛

Database IDs

• CAS Number: 19434-34-5
• EC Number: 243-061-0
• MDL Number: MFCD00800666
• PubChem SID: 160994917
• PubChem CID: 88060

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.1860354
• LogD (pH = 7.4): 3.1860354
• Log P: 3.1860354
• Molar Refractivity: 58.8828 cm^3
• Polarizability: 22.561357 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 114 °C @ 0.1mm Hg

Safety Information

• Storage Warning: Air Sensitive; IRRITANT; Toxic/Air Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: >95%; 97%; 98%