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| CAS No.: | 89794-02-5 |
|---|---|
| Name: | 4-BROMO-2-CHLOROTOLUENE |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C7H6BrCl |
| Molecular Weight: | 205.482 |
| Synonyms: | Toluene,4-bromo-2-chloro- (6CI,7CI);1-Bromo-3-chloro-4-methylbenzene;4-Bromo-2-chloro-1-methylbenzene; |
| Density: | 1.535 g/cm3 |
| Melting Point: | 43 °C |
| Boiling Point: | 220.5 °C at 760 mmHg |
| Flash Point: | 100.7 °C |
| Appearance: | Clear pale yellow liquid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26 |
| PSA: | 0.00000 |
| LogP: | 3.41090 |
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Specification
The Benzene,4-bromo-2-chloro-1-methyl-, with the CAS registry number 89794-02-5, is also known as 4-Bromo-2-chlorotoluene. It belongs to the product categories of Aromatic Halides (substituted); Halogen toluene; Bromine Compounds; Chlorine Compounds; Aryl; C7; Halogenated Hydrocarbons. This chemical's molecular formula is C7H6BrCl and formula weight is 205.48. What's more, its IUPAC name is 4-bromo-2-chloro-1-methylbenzene.
Physical properties of Benzene,4-bromo-2-chloro-1-methyl- are: (1)ACD/LogP: 4.00; (2)ACD/LogD (pH 5.5): 4.00; (3)ACD/BCF (pH 5.5): 640.19; (4)ACD/KOC (pH 5.5): 3551.06; (5)Index of Refraction: 1.566; (6)Molar Refractivity: 43.66 cm3; (7)Molar Volume: 133.8 cm3; (8)Surface Tension: 37.5 dyne/cm; (9)Density: 1.535 g/cm3; (10)Flash Point: 100.7 °C; (11)Enthalpy of Vaporization: 43.83 kJ/mol; (12)Boiling Point: 220.5 °C at 760 mmHg; (13)Vapour Pressure: 0.167 mmHg at 25°C.
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: CC1=C(C=C(C=C1)Br)Cl
(2)InChI: InChI=1S/C7H6BrCl/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3
(3)InChIKey: LIFMTDJMLRECMX-UHFFFAOYSA-N