1-ethyl-2-iodobenzene

• ChemBase ID: 8023
• Molecular Formular: C8H9I
• Molecular Mass: 232.06153
• Monoisotopic Mass: 231.97489829
• SMILES: c1(I)c(CC)cccc1
• Canonical SMILES: CCc1ccccc1I
• InChI: InChI=1S/C8H9I/c1-2-7-5-3-4-6-8(7)9/h3-6H,2H2,1H3
• InChIKey: ZEJZDNMOGNUIHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-2-iodobenzene
• IUPAC Traditional name: 1-ethyl-2-iodobenzene
• Synonyms: 1-ethyl-2-iodobenzene; 1-Iodo-2-ethylbenzene; 2-Ethyliodobenzene; 1-Ethyl-2-iodobenzene; 1-乙基-2-碘苯

Database IDs

• CAS Number: 18282-40-1
• MDL Number: MFCD00040871
• Beilstein Number: 2077313
• PubChem SID: 160971330
• PubChem CID: 140367

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.8601804
• LogD (pH = 7.4): 3.8601804
• Log P: 3.8601804
• Molar Refractivity: 49.0627 cm^3
• Polarizability: 18.992 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 221°C; 221°C; 226°C
• Flash Point: 101°C; 101°C(213°F)
• Density: 1.618
• Refractive Index: 1.5959; 1.596; 1.5960

Safety Information

• Storage Warning: Irritant/Light Sensitive/Keep Cold; Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P280-P305+P351+P338-P302+P352-P321-P362-P332+P313

Product Information

• Purity: 97%; 98%