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CAS No.: | 19393-92-1 |
---|---|
Name: | 1-BROMO-2,6-DICHLOROBENZENE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C6H3BrCl2 |
Molecular Weight: | 225.9 |
Synonyms: | 1,3-Dichloro-2-bromobenzene;1-Bromo-2,6-dichlorobenzene;2-Bromo-1,3-dichlorobenzene;NSC 155332; |
EINECS: | 243-018-6 |
Density: | 1.744 g/cm3 |
Melting Point: | 61-64 °C(lit.) |
Boiling Point: | 241.71 °C at 760 mmHg |
Flash Point: | 111.283 °C |
Appearance: | white to light yellow crystal powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39-28A |
PSA: | 0.00000 |
LogP: | 3.75590 |
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The Benzene,2-bromo-1,3-dichloro-, with the CAS registry number 19393-92-1, is also known as 2,6-Dichlorobromobenzene. It belongs to the product categories of Bromine Compounds; Chlorine Compounds; Aryl; C6; Halogenated Hydrocarbons. Its EINECS number is 243-018-6. This chemical's molecular formula is C6H3BrCl2 and formula weight is 225.90. What's more, its IUPAC name is 2-bromo-1,3-dichlorobenzene.
Physical properties of Benzene,2-bromo-1,3-dichloro- are: (1)ACD/LogP: 4.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.01; (4)ACD/BCF (pH 5.5): 659.98; (5)ACD/KOC (pH 5.5): 3629.28; (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: 111.3 °C; (12)Enthalpy of Vaporization: 45.93 kJ/mol; (13)Boiling Point: 241.7 °C at 760 mmHg; (14)Vapour Pressure: 0.0549 mmHg at 25°C.
Preparation: this chemical can be prepared by C10H13Cl2N3 at the temperature of 20-25°C. This reaction will need reagent aq. HBr, Cu and solvent acetonitrile with the reaction time of 15 min. The yield is about 70%.
Uses of Benzene,2-bromo-1,3-dichloro-: it can be used to produce 2-amino-3-(2',6'-dichloro-biphenyl-4-yl)-protonic acid at the temperature of 150°C. It will need reagent Na2CO3 and solvent H2O, acetonitrile with the reaction time of 10 min. It is a reaction of Suzuki coupling. The yield is about 75%.
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 gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C(=C1)Cl)Br)Cl
(2)InChI: InChI=1S/C6H3BrCl2/c7-6-4(8)2-1-3-5(6)9/h1-3H
(3)InChIKey: UWOIDOQAQPUVOH-UHFFFAOYSA-N