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CAS No.: | 203302-92-5 |
---|---|
Name: | 3-BROMO-2-CHLORO-6-FLUOROTOLUENE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C7H5BrClF |
Molecular Weight: | 223.472 |
Synonyms: | 1-Bromo-2-chloro-4-fluoro-3-methylbenzene;3-Bromo-2-chloro-6-fluorotoluene; |
Density: | 1.618 g/cm3 |
Boiling Point: | 219.5 °C at 760 mmHg |
Flash Point: | 86.6 °C |
Hazard Symbols: | Xn, Xi |
PSA: | 0.00000 |
LogP: | 3.55000 |
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This chemical is called 2-Chloro-3-bromo-6-fluorotoluene, and it can also be named as 3-Bromo-2-chloro-6-fluorotoluene. With the molecular formula of C7H5BrClF, its molecular weight is 223.47. The CAS registry number of this chemical is 203302-92-5.
Other characteristics of the 2-Chloro-3-bromo-6-fluorotoluene can be summarised as followings: (1)ACD/LogP: 3.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.5; (4)ACD/LogD (pH 7.4): 3.5; (5)ACD/BCF (pH 5.5): 269.27; (6)ACD/BCF (pH 7.4): 269.27; (7)ACD/KOC (pH 5.5): 1910.47; (8)ACD/KOC (pH 7.4): 1910.47; (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: 1.545; (14)Molar Refractivity: 43.65 cm3; (15)Molar Volume: 138 cm3; (16)Polarizability: 17.3×10-24cm3; (17)Surface Tension: 36.1 dyne/cm; (18)Density: 1.618 g/cm3; (19)Flash Point: 86.6 °C; (20)Enthalpy of Vaporization: 43.74 kJ/mol; (21)Boiling Point: 219.5 °C at 760 mmHg; (22)Vapour Pressure: 0.176 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Clc1c(c(F)ccc1Br)C
2.InChI: InChI=1/C7H5BrClF/c1-4-6(10)3-2-5(8)7(4)9/h2-3H,1H3
3.InChIKey: VHQALVHKNXDJRY-UHFFFAOYAJ