4-fluoro-1-iodo-2-nitrobenzene

• ChemBase ID: 7195
• Molecular Formular: C6H3FINO2
• Molecular Mass: 266.9963932
• Monoisotopic Mass: 266.91925456
• SMILES: c1(ccc(c(c1)[N+](=O)[O-])I)F
• Canonical SMILES: Fc1ccc(c(c1)[N+](=O)[O-])I
• InChI: InChI=1S/C6H3FINO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H
• InChIKey: ANPFMDLUEWNKIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-1-iodo-2-nitrobenzene
• IUPAC Traditional name: 4-fluoro-1-iodo-2-nitrobenzene
• Synonyms: 5-Fluoro-2-iodonitrobenzene; 5-Fluoro-2-iodonitrobenzene; 4-Fluoro-1-iodo-2-nitrobenzene; 5-Fluoro-2-iodonitrobenzene 98%; 4-氟-1-碘-2-硝基苯

Database IDs

• CAS Number: 364-77-2
• EC Number: 000-000-0
• MDL Number: MFCD00153169
• Beilstein Number: 3253380
• PubChem SID: 160970502
• PubChem CID: 2737347

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9848764
• LogD (pH = 7.4): 2.9848764
• Log P: 2.9848764
• Molar Refractivity: 45.9574 cm^3
• Polarizability: 17.503723 Å^3
• Polar Surface Area: 43.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 110°C/4mm; 110°C/4mm
• Refractive Index: 1.615; 1.6150

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Keep Cold; IRRITANT, LIGHT SENSITIVE, IRRITANT-HARMFUL; Light Sensitive
• European Hazard Symbols: X
• Risk Statements: 20/21/22
• Safety Statements: 9-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H311-H332
• GHS Precautionary statements: P261-P301+P310-P361-P302+P352-P405-P501A

Product Information

• Purity: 97%; 98%