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CAS No.: | 201849-17-4 |
---|---|
Name: | 4-BROMO-5-CHLORO-2-FLUOROTOLUENE |
Molecular Structure: | |
Formula: | C7H5BrClF |
Molecular Weight: | 223.472 |
Synonyms: | 1-Bromo-2-chloro-5-fluoro-4-methylbenzene;4-bromo-5-chloro-2-fluoro-1-methylbenzene;2-bromo-1-chloro-4-fluorobenzene; |
Density: | 1.619 g/cm3 |
Boiling Point: | 230.014 °C at 760 mmHg |
Flash Point: | 92.909 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 0.00000 |
LogP: | 3.55000 |
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The CAS register number of Benzene,1-bromo-2-chloro-5-fluoro-4-methyl- is 201849-17-4. It also can be called as 4-bromo-5-chloro-2-fluoro-1-methylbenzene and the systematic name about this chemical is 1-bromo-2-chloro-5-fluoro-4-methylbenzene. The molecular formula about this chemical is C7H5BrClF and the molecular weight is 223.47. It belongs to the following product categories which include Halogen toluene; Bromine Compounds; Chlorine Compounds; Fluorine Compounds and so on.
Physical properties about Benzene,1-bromo-2-chloro-5-fluoro-4-methyl- are: (1)ACD/LogP: 3.95; (2)ACD/LogD (pH 5.5): 3.95; (3)ACD/LogD (pH 7.4): 3.95; (4)ACD/BCF (pH 5.5): 588.45; (5)ACD/BCF (pH 7.4): 588.45; (6)ACD/KOC (pH 5.5): 3343.18; (7)ACD/KOC (pH 7.4): 3343.18; (8)Index of Refraction: 1.545; (9)Molar Refractivity: 43.65 cm3; (10)Molar Volume: 138 cm3; (11)Polarizability: 17.3x10-24cm3; (12)Surface Tension: 36.1 dyne/cm; (13)Flash Point: 92.9 °C; (14)Enthalpy of Vaporization: 44.77 kJ/mol; (15)Boiling Point: 230 °C at 760 mmHg; (16)Vapour Pressure: 0.102 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(c(F)cc1Br)C
(2)InChI: InChI=1/C7H5BrClF/c1-4-2-6(9)5(8)3-7(4)10/h2-3H,1H3
(3)InChIKey: KKCFZSZRHRVSRA-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C7H5BrClF/c1-4-2-6(9)5(8)3-7(4)10/h2-3H,1H3
(5)Std. InChIKey: KKCFZSZRHRVSRA-UHFFFAOYSA-N