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CAS No.: | 625-99-0 |
---|---|
Name: | 1-Chloro-3-iodobenzene |
Article Data: | 29 |
Molecular Structure: | |
Formula: | C6H4ClI |
Molecular Weight: | 238.455 |
Synonyms: | 3-Iodochlorobenzene;NSC 32861;m-Chloroiodobenzene;3-Chloroiodobenzene;3-Chlorophenyl iodide;3-Chloro-1-iodobenzene;1-Iodo-3-chlorobenzene; |
EINECS: | 210-920-6 |
Density: | 1.926 g/cm3 |
Melting Point: | 54.5oC |
Boiling Point: | 230 °C at 760 mmHg |
Flash Point: | 101.7 °C |
Solubility: | Soluble in water 67.2 mg/L. |
Appearance: | clear light yellow clear liquid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 24/25 |
PSA: | 0.00000 |
LogP: | 2.94460 |
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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%.
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