Product Name

  • Name

    1-Chloro-3-iodobenzene

  • EINECS 210-920-6
  • CAS No. 625-99-0
  • Article Data29
  • CAS DataBase
  • Density 1.926 g/cm3
  • Solubility Soluble in water 67.2 mg/L.
  • Melting Point 54.5oC
  • Formula C6H4ClI
  • Boiling Point 230 °C at 760 mmHg
  • Molecular Weight 238.455
  • Flash Point 101.7 °C
  • Transport Information
  • Appearance clear light yellow clear liquid
  • Safety 24/25
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 625-99-0 (1-Chloro-3-iodobenzene)
  • Hazard Symbols IrritantXi
  • Synonyms 3-Iodochlorobenzene;NSC 32861;m-Chloroiodobenzene;3-Chloroiodobenzene;3-Chlorophenyl iodide;3-Chloro-1-iodobenzene;1-Iodo-3-chlorobenzene;
  • PSA 0.00000
  • LogP 2.94460

1-Chloro-3-iodobenzene Specification

The 1-Chloro-3-iodobenzene, with the CAS registry number 625-99-0, is also known as m-Chloroiodobenzene. It belongs to the product categories of Aromatic Halides (substituted); Chlorine Compounds; Iodine Compounds; Aryl; C6; Halogenated Hydrocarbons. Its EINECS registry number is 210-920-6. This chemical's molecular formula is C6H4ClI and molecular weight is 238.45343. Its IUPAC name is called 1-chloro-3-iodobenzene. The product should be sealed and stored in cool and dry place. What's more, it should be protected from strong oxides.

Physical properties of 1-Chloro-3-iodobenzene: (1)ACD/LogP: 3.39; (2)ACD/LogD (pH 5.5): 3.39; (3)ACD/LogD (pH 7.4): 3.39; (4)Index of Refraction: 1.632; (5)Molar Refractivity: 44.05 cm3; (6)Molar Volume: 123.4 cm3; (7)Surface Tension: 44.4 dyne/cm; (8)Density: 1.931 g/cm3; (9)Flash Point: 101.7 °C; (10)Enthalpy of Vaporization: 44.77 kJ/mol; (11)Boiling Point: 230 °C at 760 mmHg; (12)Vapour Pressure: 0.102 mmHg at 25°C.

Uses of 1-Chloro-3-iodobenzene: it can be used to produce 1-chloro-3-diacetoxyiodanyl-benzene with acetic acid anhydride at temperature of 25 - 40 °C. This reaction will need reagents sodium percarbonate, AcOH and solvent CH2Cl2 with reaction time of 6.5 hours. The yield is about 18%.

1-Chloro-3-iodobenzene can be used to produce 1-chloro-3-diacetoxyiodanyl-benzene with acetic acid anhydride

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. You must avoid contacting it with skin and eyes.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC(=C1)I)Cl
(2)InChI: InChI=1S/C6H4ClI/c7-5-2-1-3-6(8)4-5/h1-4H
(3)InChIKey: JMLWXCJXOYDXRN-UHFFFAOYSA-N

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