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CAS No.: | 22445-41-6 |
---|---|
Name: | 1-Iodo-3,5-dimethylbenzene |
Article Data: | 17 |
Molecular Structure: | |
Formula: | C8H9I |
Molecular Weight: | 232.064 |
Synonyms: | m-Xylene,5-iodo- (7CI,8CI);3,5-Dimethyliodobenzene;3,5-Dimethylphenyl iodide;5-Iodo-m-xylene; |
EINECS: | -0 |
Density: | 1.61 g/cm3 |
Melting Point: | -2.9°C (estimate) |
Boiling Point: | 229.9 °C at 760 mmHg |
Flash Point: | 99.3 °C |
Appearance: | Clear light yellow liquid |
Hazard Symbols: | Xi, C |
Risk Codes: | 36/37/38 |
Safety: | 26-36-37/39 |
PSA: | 0.00000 |
LogP: | 2.90800 |
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The Benzene,1-iodo-3,5-dimethyl-, with the CAS registry number 22445-41-6, is also known as 3,5-Dimethyliodobenzene. It belongs to the product categories of Aromatic Hydrocarbons (substituted) & Derivatives; Halogen toluene; Iodine Compounds. This chemical's molecular formula is C8H9I and formula weight is 232.06. What's more, its IUPAC name is 1-iodo-3,5-dimethylbenzene.
Physical properties of Benzene,1-iodo-3,5-dimethyl- are: (1)ACD/LogP: 4.17; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 869.59; (4)ACD/KOC (pH 5.5): 4421.44; (5)Index of Refraction: 1.592; (6)Molar Refractivity: 48.8 cm3; (7)Molar Volume: 144 cm3; (8)Surface Tension: 38.2 dyne/cm; (9)Density: 1.61 g/cm3; (10)Flash Point: 99.3 °C; (11)Enthalpy of Vaporization: 44.76 kJ/mol; (12)Boiling Point: 229.9 °C at 760 mmHg; (13)Vapour Pressure: 0.103 mmHg at 25°C.
Uses of Benzene,1-iodo-3,5-dimethyl-: it can be used to produce 3,4',5-trimethylbiphenyl ether at the temperature of 110°C. It will need reagent Cs2CO3, (CuOTf)2·PhH, EtOAc, 1-naphthoic acid, 5A MS and solvent toluene. The yield is about 80%.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you should wear suitable protective clothing and suitable gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC(=CC(=C1)I)C
(2)InChI: InChI=1S/C8H9I/c1-6-3-7(2)5-8(9)4-6/h3-5H,1-2H3
(3)InChIKey: ZLMKEENUYIUKKC-UHFFFAOYSA-N