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CAS No.: | 29682-41-5 |
---|---|
Name: | 1,4-DICHLORO-2-IODOBENZENE |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C6H3Cl2I |
Molecular Weight: | 272.9 |
Synonyms: | 1,4-Dichloro-2-iodobenzene;2,5-Dichloro-1-iodobenzene;2,5-Dichlorophenyl iodide;2-Iodo-1,4-dichlorobenzene; |
EINECS: | 249-774-3 |
Density: | 2.015 g/cm3 |
Melting Point: | 21 °C(lit.) |
Boiling Point: | 255.5 °C at 760 mmHg |
Flash Point: | 93.9 °C |
Appearance: | Clear colourless to brownish liquid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39-24/25 |
PSA: | 0.00000 |
LogP: | 3.59800 |
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The Benzene,1,4-dichloro-2-iodo-, with CAS registry number 29682-41-5, belongs to the following product categories: (1)Chlorine Compounds; (2)Iodine Compounds; (3)Aryl; (4)C6; (5)Halogenated Hydrocarbons. It has the systematic name of 1,4-dichloro-2-iodo-benzene. This chemical is a kind of clear colourless to brownish liquid.
Physical properties of Benzene,1,4-dichloro-2-iodo-: (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)#H bond acceptors: 0; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Index of Refraction: 1.642; (9)Molar Refractivity: 48.94 cm3; (10)Molar Volume: 135.4 cm3; (11)Polarizability: 19.4×10-24cm3; (12)Surface Tension: 47 dyne/cm; (13)Enthalpy of Vaporization: 47.31 kJ/mol; (14)Vapour Pressure: 0.026 mmHg at 25°C.
Preparation: this chemical can be prepared by 2,5-dichloro-aniline. The yield is about 70%.
When you are using this chemical, please be cautious about it as the following:
The Benzene,1,4-dichloro-2-iodo- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(Cl)c(I)c1
(2)InChI: InChI=1/C6H3Cl2I/c7-4-1-2-5(8)6(9)3-4/h1-3H
(3)InChIKey: SBHVNORGKIPGCL-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C6H3Cl2I/c7-4-1-2-5(8)6(9)3-4/h1-3H
(5)Std. InChIKey: SBHVNORGKIPGCL-UHFFFAOYSA-N