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CAS No.: | 206559-41-3 |
---|---|
Name: | 3-BROMO-2,4-DICHLOROTOLUENE |
Molecular Structure: | |
Formula: | C7H5BrCl2 |
Molecular Weight: | 239.927 |
Synonyms: | 2-Bromo-1,3-dichloro-4-methylbenzene;3-Bromo-2,4-dichlorotoluene; |
Density: | 1.645 g/cm3 |
Melting Point: | 36-38 °C |
Boiling Point: | 270.1 °C at 760 mmHg |
Flash Point: | 130.2 °C |
Hazard Symbols: | Xi |
PSA: | 0.00000 |
LogP: | 4.06430 |
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The Benzene,2-bromo-1,3-dichloro-4-methyl-, with the CAS registry number 206559-41-3, is also known as 3-Bromo-2,4-dichlorotoluene. It belongs to the product categories of Blocks; Bromides; API Intermediates. This chemical's molecular formula is C7H5BrCl2 and molecular weight is 239.92. What's more, its systematic name is called 2-Bromo-1,3-dichloro-4-methylbenzene. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about Benzene,2-bromo-1,3-dichloro-4-methyl- are: (1) ACD/LogP: 4.47; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 4.47; (4) ACD/LogD (pH 7.4): 4.47; (5) ACD/BCF (pH 5.5): 1476.34; (6) ACD/BCF (pH 7.4): 1476.34; (7) ACD/KOC (pH 5.5): 6458.06; (8) ACD/KOC (pH 7.4): 6458.06; (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: 1.58; (14) Molar Refractivity: 48.55 cm3; (15) Molar Volume: 145.7 cm3; (16) Surface Tension: 40.2 dyne/cm; (17) Density: 1.645 g/cm3; (18) Flash Point: 130.2 °C; (19) Enthalpy of Vaporization: 48.78 kJ/mol; (20) Boiling Point: 270.1 °C at 760 mmHg; (21) Vapour Pressure: 0.0116 mmHg at 25 °C; (22) Melting Point: 36-38 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccc(c(Cl)c1Br)C
(2) InChI: InChI=1/C7H5BrCl2/c1-4-2-3-5(9)6(8)7(4)10/h2-3H,1H3
(3) InChIKey: DBWPADILUQENLH-UHFFFAOYAZ