1-chloro-3-iodobenzene

• ChemBase ID: 7352
• Molecular Formular: C6H4ClI
• Molecular Mass: 238.45343
• Monoisotopic Mass: 237.90462581
• SMILES: c1cc(cc(c1)Cl)I
• Canonical SMILES: Clc1cccc(c1)I
• InChI: InChI=1S/C6H4ClI/c7-5-2-1-3-6(8)4-5/h1-4H
• InChIKey: JMLWXCJXOYDXRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-3-iodobenzene
• IUPAC Traditional name: 3-chloroiodobenzene
• Synonyms: 1-Chloro-3-iodobenzene; 3-Chloroiodobenzene; 1-Chloro-3-iodobenzene; 3-Chloroiodobenzene; 3-Chloroiodobenzene; m-CHLOROIODOBENZENE; 1-Chloro-3-iodobenzene; 3-氯碘苯; 1-氯-3-碘苯

Database IDs

• CAS Number: 625-99-0
• EC Number: 210-920-6
• MDL Number: MFCD00001046
• Beilstein Number: 1904539
• PubChem SID: 24854568; 160970659
• PubChem CID: 12269

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.506235
• LogD (pH = 7.4): 3.506235
• Log P: 3.506235
• Molar Refractivity: 44.2253 cm^3
• Polarizability: 17.431189 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 103-104 °C/15 mmHg(lit.); 103-104°C/15mm; 103-104°C°C/15mm; 228°C
• Flash Point: 102 °C; 102°C°C; 102°C(216°F); 215.6 °F
• Density: 1.926; 1.926 g/mL at 25 °C(lit.); 1.927; 1.93
• Refractive Index: 1.6310; n20/D 1.631(lit.)

Safety Information

• Storage Warning: IRRITANT; Irritant; Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; R:36/37/38
• Safety Statements: 23-26-37; S:20-25-26-37/39
• TSCA Listed: true; 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: 97%; 98%
• Linear Formula: ClC6H4I

DETAILS

MP Biomedicals - 05214234

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 242578

Packaging
5, 25 g in glass bottle