2-chloro-4-fluoro-1-iodobenzene

• ChemBase ID: 7470
• Molecular Formular: C6H3ClFI
• Molecular Mass: 256.4438932
• Monoisotopic Mass: 255.895204
• SMILES: c1(I)c(Cl)cc(F)cc1
• Canonical SMILES: Fc1ccc(c(c1)Cl)I
• InChI: InChI=1S/C6H3ClFI/c7-5-3-4(8)1-2-6(5)9/h1-3H
• InChIKey: POTCKVPDYXEGSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4-fluoro-1-iodobenzene
• IUPAC Traditional name: 2-chloro-4-fluoro-1-iodobenzene
• Synonyms: 2-Chloro-4-fluoro-1-iodobenzene; 2-Chloro-4-fluoro-1-iodobenzene; 2-Chloro-4-fluoroiodobenzene 98%; 2-Chloro-4-fluoroiodobenzene; 2-chloro-4-fluoro-1-iodobenzene; 2-氯-4-氟-1-碘苯

Database IDs

• CAS Number: 101335-11-9
• EC Number: 000-000-0
• MDL Number: MFCD00051774
• Beilstein Number: 2435080
• PubChem SID: 160970777
• PubChem CID: 2736559

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.648937
• LogD (pH = 7.4): 3.648937
• Log P: 3.648937
• Molar Refractivity: 44.4417 cm^3
• Polarizability: 17.34876 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 96-98°C/15mm; 96-98°C/15mm
• Refractive Index: 1.601; 1.6010

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Keep Cold; IRRITANT; Light 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: 97%; 98%