phenoxybenzene; phenylbenzene

• ChemBase ID: 152030
• Molecular Formular: C24H20O
• Molecular Mass: 324.415
• Monoisotopic Mass: 324.15141526
• SMILES: c1ccc(cc1)c1ccccc1.c1ccc(cc1)Oc1ccccc1
• Canonical SMILES: c1ccc(cc1)c1ccccc1.c1ccc(cc1)Oc1ccccc1
• InChI: InChI=1S/C12H10O.C12H10/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H;1-10H
• InChIKey: MHCVCKDNQYMGEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phenoxybenzene; phenylbenzene
• IUPAC Traditional name: diphenyl; diphenyl-ether
• Synonyms: Diphyl; Dowtherm® A; 联二苯

Database IDs

• CAS Number: 8004-13-5
• MDL Number: MFCD00148859
• PubChem SID: 162246176; 24868197
• PubChem CID: 24670

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.473533
• LogD (pH = 7.4): 3.473533
• Log P: 3.473533
• Molar Refractivity: 52.2988 cm^3
• Polarizability: 20.709755 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 12-14 °C(lit.)
• Refractive Index: n20/D 1.590

Safety Information

• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• UN Number: 3082
• German water hazard class: 2
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 37/38-41-50/53
• Safety Statements: 26-39-61
• GHS Pictograms: GHS05; GHS07; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H315-H318-H335-H410
• GHS Precautionary statements: P261-P273-P280-P305 + P351 + P338-P501
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3082 9/PG 3

DETAILS

Sigma Aldrich - 44570

Packaging
1 L in glass bottle
Legal Information
DOWTHERM is a registered trademark of The Dow Chemical Company or an affiliated company of Dow