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583-55-1

Basic Information
CAS No.: 583-55-1
Name: 1-Bromo-2-iodobenzene
Article Data: 47
Molecular Structure:
Molecular Structure of 583-55-1 (1-Bromo-2-iodobenzene)
Formula: C6H4BrI
Molecular Weight: 282.906
Synonyms: 1-Iodo-2-bromobenzene;2-Bromo-1-iodobenzene;2-Bromoiodobenzene;2-Iodobromobenzene;o-Bromophenyl iodide;o-Iodobromobenzene;
EINECS: 209-508-9
Density: 2.203 g/cm3
Melting Point: 9-10 °C(lit.)
Boiling Point: 249.7 °C at 760 mmHg
Flash Point: 104.8 °C
Solubility: Not miscible or difficult to mix in water.
Appearance: light yellow to red liquid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 0.00000
LogP: 3.05370
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Specification

The Benzene,1-bromo-2-iodo-, with CAS registry number 583-55-1, belongs to the following product categories: (1)Miscellaneous; (2)Benzene derivates; (3)Bromine Compounds; (4)Iodine Compounds; (5)Aryl; (6)C6; (7)Halogenated Hydrocarbons. It has the systematic name of 1-bromo-2-iodobenzene. This chemical is a kind of colorless to yellowish liquid.

Physical properties of Benzene,1-bromo-2-iodo-: (1)ACD/LogP: 3.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.93; (4)ACD/LogD (pH 7.4): 3.93; (5)ACD/BCF (pH 5.5): 575.95; (6)ACD/BCF (pH 7.4): 575.95; (7)ACD/KOC (pH 5.5): 3292.19; (8)ACD/KOC (pH 7.4): 3292.19; (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: 1.654; (14)Molar Refractivity: 46.84 cm3; (15)Molar Volume: 127.6 cm3; (16)Polarizability: 18.57×10-24cm3; (17)Surface Tension: 46.4 dyne/cm; (18)Enthalpy of Vaporization: 46.72 kJ/mol; (19)Vapour Pressure: 0.0357 mmHg at 25°C.

Uses of p-Chloropropiophenone: it can be used to produce 2-bromodiphenylacetylene. This reaction will need reagent pyridine. The reaction time is 10 hour(s). The yield is about 84%.

When you are using this chemical, please be cautious about it as the following:
The Benzene,1-bromo-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: Ic1ccccc1Br
(2)InChI: InChI=1/C6H4BrI/c7-5-3-1-2-4-6(5)8/h1-4H
(3)InChIKey: OIRHKGBNGGSCGS-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C6H4BrI/c7-5-3-1-2-4-6(5)8/h1-4H
(5)Std. InChIKey: OIRHKGBNGGSCGS-UHFFFAOYSA-N