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CAS No.: | 2401-21-0 |
---|---|
Name: | 1,2-Dichloro-3-iodobenzene |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C6H3Cl2I |
Molecular Weight: | 272.9 |
Synonyms: | 2,3-Dichloro-1-iodobenzene; |
EINECS: | 219-276-0 |
Density: | 2.015 g/cm3 |
Melting Point: | 35-36 °C(lit.) |
Boiling Point: | 242.1 °C at 760 mmHg |
Flash Point: | 114.6 °C |
Appearance: | white to light yellow crystal |
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,1,2-dichloro-3-iodo-, with CAS registry number 2401-21-0, belongs to the product categories of Chlorine Compounds; Iodine Compounds. It has the systematic name of 1,2-dichloro-3-iodobenzene. This chemical is a kind of white crystalline mass. What's more, its EINECS is 219-276-0.
Physical properties of Benzene,1,2-dichloro-3-iodo-: (1)ACD/LogP: 4.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.12; (4)ACD/LogD (pH 7.4): 4.12; (5)ACD/BCF (pH 5.5): 795.34; (6)ACD/BCF (pH 7.4): 795.34; (7)ACD/KOC (pH 5.5): 4147.78; (8)ACD/KOC (pH 7.4): 4147.78; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.642; (14)Molar Refractivity: 48.94 cm3; (15)Molar Volume: 135.4 cm3; (16)Surface Tension: 47 dyne/cm; (17)Enthalpy of Vaporization: 45.97 kJ/mol; (18)Vapour Pressure: 0.0537 mmHg at 25°C.
Uses of Benzene,1,2-dichloro-3-iodo-: it can be used to produce 2,2',3,3'-tetrachlorobiphenyl. The yield is about 63 %.
When you are using this chemical, please be cautious about it as the following:
The Benzene,1,2-dichloro-3-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: Ic1cccc(Cl)c1Cl
(2)InChI: InChI=1/C6H3Cl2I/c7-4-2-1-3-5(9)6(4)8/h1-3H
(3)InChIKey: VGJKBWPZBVBXGI-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C6H3Cl2I/c7-4-2-1-3-5(9)6(4)8/h1-3H
(5)Std. InChIKey: VGJKBWPZBVBXGI-UHFFFAOYSA-N