1-chloro-2-iodobenzene

• ChemBase ID: 7192
• Molecular Formular: C6H4ClI
• Molecular Mass: 238.45343
• Monoisotopic Mass: 237.90462581
• SMILES: c1ccc(c(c1)Cl)I
• Canonical SMILES: Clc1ccccc1I
• InChI: InChI=1S/C6H4ClI/c7-5-3-1-2-4-6(5)8/h1-4H
• InChIKey: MPEOPBCQHNWNFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-2-iodobenzene
• IUPAC Traditional name: 2-chloroiodobenzene
• Synonyms: o-CHLOROIODOBENZENE; 1-Chloro-2-iodobenzene; 2-Chloroiodobenzene; 1-Chloro-2-iodobenzene; 2-Chloroiodobenzene 97%; 1-Chloro-2-iodobenzene; 1-氯-2-碘苯

Database IDs

• CAS Number: 615-41-8
• EC Number: 210-423-4
• MDL Number: MFCD00001033
• Beilstein Number: 1905116
• PubChem SID: 24854977; 160970499
• PubChem CID: 11993

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: 17.446507 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 1 °C(lit.); 1°C; 1°C
• Boiling Point: 108-110°C/15mm; 108-110°C/15mm; 234-235 °C(lit.); 234-235°C
• Flash Point: 111°C; 111°C(231°F); 112 °C; 233.6 °F
• Density: 1.952; 1.952 g/mL at 25 °C(lit.); 1.954
• Refractive Index: 1.6334; 1.6336; 1.6345; n20/D 1.6334(lit.); n20/D 1.635

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
• Safety Statements: 26-36; 26-37
• TSCA Listed: true; 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥99.0%; 97%; 98%; 99%
• Linear Formula: ClC6H4I

DETAILS

MP Biomedicals - 05203222

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 24910

Packaging
5 mL in glass bottle