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CAS No.: | 1122-42-5 |
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Name: | 1,4-Dimethyl-2-iodobenzene |
Article Data: | 58 |
Molecular Structure: | |
Formula: | C8H9I |
Molecular Weight: | 232.064 |
Synonyms: | p-Xylene,2-iodo- (6CI,7CI,8CI);1,4-Dimethyl-2-iodobenzene;1-Iodo-2,5-dimethylbenzene;2,5-Dimethyliodobenzene;2-Iodo-1,4-dimethylbenzene;2-Iodo-p-xylene;NSC 3779; |
EINECS: | 214-347-2 |
Density: | 1.611 g/cm3 |
Melting Point: | -2.9°C (estimate) |
Boiling Point: | 227.761 °C at 760 mmHg |
Flash Point: | 98.229 °C |
Appearance: | clear yellow liquid |
Hazard Symbols: | Xi,C |
Risk Codes: | 36/38 |
Safety: | 26-36/37/39 |
PSA: | 0.00000 |
LogP: | 2.90800 |
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The 1,4-Dimethyl-2-iodobenzene, with the CAS registry number 1122-42-5, is also known as 2,5-Dimethyliodobenzene. It belongs to the product categories of Aromatic Hydrocarbons (substituted) & Derivatives; Halogen toluene; API intermediates; Iodine Compounds. Its EINECS registry number is 214-347-2. This chemical's molecular formula is C8H9I and molecular weight is 232.06. Its IUPAC name is called 2-iodo-1,4-dimethylbenzene. This chemical is clear yellow liquid.
Physical properties of 1,4-Dimethyl-2-iodobenzene: (1)ACD/LogP: 4.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.17; (4)ACD/LogD (pH 7.4): 4.17; (5)ACD/BCF (pH 5.5): 869.59; (6)ACD/BCF (pH 7.4): 869.59; (7)ACD/KOC (pH 5.5): 4421.44; (8)ACD/KOC (pH 7.4): 4421.44; (9)Index of Refraction: 1.592; (10)Molar Refractivity: 48.8 cm3; (11)Molar Volume: 144 cm3; (12)Surface Tension: 38.2 dyne/cm; (13)Density: 1.61 g/cm3; (14)Flash Point: 98.2 °C; (15)Enthalpy of Vaporization: 44.55 kJ/mol; (16)Boiling Point: 227.8 °C at 760 mmHg; (17)Vapour Pressure: 0.115 mmHg at 25°C.
Preparation: this chemical can be prepared by 1,4-dimethyl-benzene. This reaction will need reagent trifluoroacetic acid, N,N'-diiodo-N,N'-1,2-ethanediylbis(p-toluenesulphonamide) and solvent acetonitrile. The reaction time is 4.5 hours by heating. The yield is about 93%.
Uses of 1,4-Dimethyl-2-iodobenzene: it can be used to produce 2,5,2',5'-Tetramethyl-biphenyl at temperature of 230-260 °C. This reaction will need reagent copper.
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 and may destroy living tissue on contact. It is irritating to eyes and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC(=C(C=C1)C)I
(2)InChI: InChI=1S/C8H9I/c1-6-3-4-7(2)8(9)5-6/h3-5H,1-2H3
(3)InChIKey: WYZVNUSNUCABRF-UHFFFAOYSA-N