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CAS No.: | 1435-50-3 |
---|---|
Name: | 2-Bromo-1,4-dichlorobenzene |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C6H3BrCl2 |
Molecular Weight: | 225.9 |
Synonyms: | 1-Bromo-2,5-dichlorobenzene;2,5-Dichlorobromobenzene; |
EINECS: | 215-859-9 |
Density: | 1.744 g/cm3 |
Melting Point: | 32-36 °C(lit.) |
Boiling Point: | 236.2 °C at 760 mmHg |
Flash Point: | 106.4 °C |
Solubility: | insoluble in water |
Appearance: | white to light yellow crystal powder |
Hazard Symbols: | Xi, T |
Risk Codes: | 36/37/38 |
Safety: | 26-36-28A |
PSA: | 0.00000 |
LogP: | 3.75590 |
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The Benzene,2-bromo-1,4-dichloro-, with the CAS registry number 1435-50-3, is also known as 1-Bromo-2,5-dichlorobenzene. It belongs to the product categories of Bromine Compounds; Chlorine Compounds. Its EINECS number is 215-859-9. This chemical's molecular formula is C6H3BrCl2 and formula weight is 225.90. What's more, its IUPAC name is 2-bromo-1,4-dichlorobenzene.
Physical properties of Benzene,2-bromo-1,4-dichloro- are: (1)ACD/LogP: 3.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.97; (4)ACD/BCF (pH 5.5): 610.11; (5)ACD/KOC (pH 5.5): 3430.81; (6)Index of Refraction: 1.59; (7)Molar Refractivity: 43.73 cm3; (8)Molar Volume: 129.5 cm3; (9)Surface Tension: 41.8 dyne/cm; (10)Density: 1.744 g/cm3; (11)Flash Point: 106.4 °C; (12)Enthalpy of Vaporization: 45.38 kJ/mol; (13)Boiling Point: 236.2 °C at 760 mmHg; (14)Vapour Pressure: 0.0736 mmHg at 25°C.
Preparation: this chemical can be prepared by 1,4-dichloro-benzene by heating. This reaction will need reagent 10% KBrO3 and solvent aq. H2SO4, acetic acid with the reaction time of 1.5 hours. The yield is about 43%.
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.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1Cl)Br)Cl
(2)InChI: InChI=1S/C6H3BrCl2/c7-5-3-4(8)1-2-6(5)9/h1-3H
(3)InChIKey: OVXVQBCRONSPDC-UHFFFAOYSA-N