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CAS No.: | 329944-72-1 |
---|---|
Name: | 3-BROMO-5-CHLOROTOLUENE |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C7H6BrCl |
Molecular Weight: | 205.482 |
Synonyms: | 1-Bromo-3-chloroto-5-methylbenzene;5-Bromo-3-chlorotoluene;1-Bromo-3-chloro-5-methylbenzene; |
Density: | 1.535 g/cm3 |
Melting Point: | 25℃ |
Boiling Point: | 222.3 °C at 760 mmHg |
Flash Point: | 101.5 °C |
Hazard Symbols: | Xi |
Risk Codes: | 22 |
PSA: | 0.00000 |
LogP: | 3.41090 |
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The Benzene,1-bromo-3-chloro-5-methyl-, with the CAS registry number 329944-72-1, is also known as 5-Bromo-3-chlorotoluene. It belongs to the product categories of Blocks; Bromides. This chemical's molecular formula is C7H6BrCl and molecular weight is 205.48. What's more, its systematic name is 1-bromo-3-chloro-5-methylbenzene.
Physical properties of Benzene,1-bromo-3-chloro-5-methyl- are: (1)ACD/LogP: 4.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 640; (6)ACD/BCF (pH 7.4): 640; (7)ACD/KOC (pH 5.5): 3551; (8)ACD/KOC (pH 7.4): 3551; (9)Index of Refraction: 1.566; (10)Molar Refractivity: 43.663 cm3; (11)Molar Volume: 133.844 cm3; (12)Polarizability: 17.309×10-24cm3; (13)Surface Tension: 37.532 dyne/cm; (14)Density: 1.535 g/cm3; (15)Flash Point: 101.487 °C; (16)Enthalpy of Vaporization: 44.012 kJ/mol; (17)Boiling Point: 222.333 °C at 760 mmHg; (18)Vapour Pressure: 0.152 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(cc(Br)c1)C
(2)InChI: InChI=1S/C7H6BrCl/c1-5-2-6(8)4-7(9)3-5/h2-4H,1H3
(3)InChIKey: YRIKDGJWRMHTJP-UHFFFAOYSA-N