1-fluoro-3-iodobenzene

• ChemBase ID: 7354
• Molecular Formular: C6H4FI
• Molecular Mass: 221.9988332
• Monoisotopic Mass: 221.93417635
• SMILES: c1cc(cc(c1)F)I
• Canonical SMILES: Fc1cccc(c1)I
• InChI: InChI=1S/C6H4FI/c7-5-2-1-3-6(8)4-5/h1-4H
• InChIKey: VSKSBSORLCDRHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-fluoro-3-iodobenzene
• IUPAC Traditional name: 1-fluoro-3-iodobenzene
• Synonyms: 3-Fluoroiodobenzene; 1-Fluoro-3-iodobenzene; 3-Fluoroiodobenzene 99%; 1-Fluoro-3-iodobenzene; m-FLUOROIODOBENZENE; 3-Fluoroiodobenzene; 3-Fluoroiodobenzene; 1-Fluoro-3-iodobenzene; 间氟碘苯; 1-氟-3-碘苯

Database IDs

• CAS Number: 1121-86-4
• EC Number: 214-339-9
• MDL Number: MFCD00001044
• Beilstein Number: 2039305
• PubChem SID: 160970661; 24853125
• PubChem CID: 70725

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.0448923
• LogD (pH = 7.4): 3.0448923
• Log P: 3.0448923
• Molar Refractivity: 39.6369 cm^3
• Polarizability: 15.324173 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -42°C
• Boiling Point: 77-78 °C/19 mmHg(lit.); 77-78°C/19mm; 77-78°C/19mm
• Flash Point: 152.6 °F; 67 °C; 67°C; 67°C(152°F)
• Density: 1.89; 1.89 g/mL at 25 °C(lit.); 1.890; 1.898
• Refractive Index: 1.584; 1.5840; n20/D 1.584(lit.)
• Hydrophobicity(logP): 3.408

Safety Information

• Storage Warning: IRRITANT; Irritant/Light Sensitive/Keep Cold; Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; R:36/37/38
• Safety Statements: 26-36; 26-37-60; S:20-25-26-37/39
• TSCA Listed: true; 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H315-H319-H335-H227
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 95%; 97%; 98%; 99%
• Contains: copper as stabilizer
• Linear Formula: FC6H4I

DETAILS

MP Biomedicals - 05205201

MP Biomedicals Rare Chemical collection

Apollo Scientific Ltd - PC3770

Stabilised with copper shot

Sigma Aldrich - 219398

Packaging
25 g in glass bottle