1-chloro-4-iodobenzene

• ChemBase ID: 7500
• Molecular Formular: C6H4ClI
• Molecular Mass: 238.45343
• Monoisotopic Mass: 237.90462581
• SMILES: Clc1ccc(cc1)I
• Canonical SMILES: Clc1ccc(cc1)I
• InChI: InChI=1S/C6H4ClI/c7-5-1-3-6(8)4-2-5/h1-4H
• InChIKey: GWQSENYKCGJTRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-4-iodobenzene
• IUPAC Traditional name: 4-chloroiodobenzene
• Synonyms: 1-Chloro-4-iodobenzene; 1-Chloro-4-iodobenzene; 4-Chloroiodobenzene; 4-Chloroiodobenzene; 1-Chloro-4-iodobenzene; p-CHLOROIODOBENZENE; 1-氯-4-碘苯

Database IDs

• CAS Number: 637-87-6
• EC Number: 211-305-5
• MDL Number: MFCD00001053
• Beilstein Number: 1634414
• PubChem SID: 24846546; 160970807
• PubChem CID: 12510

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: 17.42944 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 52-56°C; 52-56°C; 53-54 °C(lit.); 53-54°C
• Boiling Point: 226-227 °C(lit.); 226-227°C; 226-227°C
• Flash Point: 108 °C; 108°C; 108°C(226°F); 226.4 °F

Safety Information

• Storage Warning: Harmful/Light Sensitive/Keep Cold; IRRITANT; Light Sensitive
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22; 36/37/38
• Safety Statements: 26-37-60; 36/37
• TSCA Listed: true; 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H332; H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A; P280
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

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

DETAILS

MP Biomedicals - 05207843

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 101605

Packaging
25, 100 g in poly bottle