2-iodo-1,4-dimethylbenzene

• ChemBase ID: 9924
• Molecular Formular: C8H9I
• Molecular Mass: 232.06153
• Monoisotopic Mass: 231.97489829
• SMILES: c1c(cc(c(c1)C)I)C
• Canonical SMILES: Cc1ccc(c(c1)I)C
• InChI: InChI=1S/C8H9I/c1-6-3-4-7(2)8(9)5-6/h3-5H,1-2H3
• InChIKey: WYZVNUSNUCABRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-iodo-1,4-dimethylbenzene
• IUPAC Traditional name: 2-iodo-1,4-dimethylbenzene
• Synonyms: 2-Iodo-4-xylene; 1,4-Dimethyl-2-iodobenzene; 2,5-Dimethyliodobenzene; 2-Iodo-p-xylene, tech; 2-Iodo-1,4-dimethylbenzene; 2-Iodo-p-xylene; 1,4-二甲基-2-碘苯

Database IDs

• CAS Number: 1122-42-5
• EC Number: 214-347-2
• MDL Number: MFCD00013708
• Beilstein Number: 1905728
• PubChem SID: 160973231
• PubChem CID: 70731

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.929033
• LogD (pH = 7.4): 3.929033
• Log P: 3.929033
• Molar Refractivity: 49.5029 cm^3
• Polarizability: 18.921846 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 229-230°C; 230°C
• Flash Point: >110°C(230°F)
• Density: 1.61; 1.617
• Refractive Index: 1.5980

Safety Information

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

Product Information

• Purity: 98+%