1-ethoxy-4-iodobenzene

• ChemBase ID: 78929
• Molecular Formular: C8H9IO
• Molecular Mass: 248.06093
• Monoisotopic Mass: 247.96981291
• SMILES: O(c1ccc(cc1)I)CC
• Canonical SMILES: CCOc1ccc(cc1)I
• InChI: InChI=1S/C8H9IO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3
• InChIKey: VSIIHWOJPSSIDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethoxy-4-iodobenzene
• IUPAC Traditional name: 4-iodophenetole
• Synonyms: 4-Ethoxyiodobenzene; 4-Iodophenyl ethyl ether; 4-Iodophenetole 98%; 4-Iodophenetole; 1-Ethoxy-4-iodobenzene; Ethyl 4-iodophenyl ether; 4-Iodophenetole; 对碘苯乙醚; 4-碘苯乙醚

Database IDs

• CAS Number: 699-08-1
• EC Number: 000-000-0
• MDL Number: MFCD00061124
• Beilstein Number: 2042067
• PubChem SID: 24878355; 162043692
• PubChem CID: 220700

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.101327
• LogD (pH = 7.4): 3.101327
• Log P: 3.101327
• Molar Refractivity: 50.6323 cm^3
• Polarizability: 19.812815 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 25-28 °C(lit.); 25-29°C; 26-29°C
• Boiling Point: 133-134°C/19mm
• Flash Point: >110°C(230°F); 110 °C; 110°C; 230 °F
• Refractive Index: 1.5970

Safety Information

• Storage Warning: Irritant/Light Sensitive/Keep Cold; Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%; 98%
• Linear Formula: IC6H4OCH2CH3

DETAILS

Sigma Aldrich - 538744

Packaging
5 g in glass bottle