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CAS No.: | 202865-57-4 |
---|---|
Name: | 1-Bromo-2,5-dichloro-3-fluorobenzene |
Molecular Structure: | |
Formula: | C6H2BrCl2F |
Molecular Weight: | 243.89 |
Synonyms: | 1-Bromo-2,5-dichloro-3-fluorobenzene;3-Bromo-2,5-dichloro-1-fluorobenzene; |
EINECS: | -0 |
Density: | 1.823 g/cm3 |
Boiling Point: | 232.3 °C at 760 mmHg |
Flash Point: | 94.3 °C |
Appearance: | Clear colourless to light yellow liquid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 24/25 |
PSA: | 0.00000 |
LogP: | 3.89500 |
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The CAS register number of 1-Bromo-2,5-dichloro-3-fluorobenzene is 202865-57-4. It also can be called as 3-bromo-2,5-dichloro-1-fluorobenzene and the systematic name about this chemical is 1-bromo-2,5-dichloro-3-fluorobenzene. The molecular formula about this chemical is C6H2BrCl2F and the molecular weight is 243.89. It belongs to the following product categories which include Bromine Compounds; Chlorine Compounds; Fluorine Compounds and so on.
Physical properties about 1-Bromo-2,5-dichloro-3-fluorobenzene are: (1)ACD/LogP: 3.68; (2)ACD/LogD (pH 5.5): 3.68; (3)ACD/LogD (pH 7.4): 3.68; (4)ACD/BCF (pH 5.5): 367.26; (5)ACD/BCF (pH 7.4): 367.26; (6)ACD/KOC (pH 5.5): 2385.7; (7)ACD/KOC (pH 7.4): 2385.7; (8)Index of Refraction: 1.567; (9)Molar Refractivity: 43.72 cm3; (10)Molar Volume: 133.7 cm3; (11)Polarizability: 17.33x10-24cm3; (12)Surface Tension: 40.1 dyne/cm; (13)Flash Point: 94.3 °C; (14)Enthalpy of Vaporization: 44.99 kJ/mol; (15)Boiling Point: 232.3 °C at 760 mmHg; (16)Vapour Pressure: 0.0903 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, please avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(Cl)cc(Br)c1Cl
(2)InChI: InChI=1/C6H2BrCl2F/c7-4-1-3(8)2-5(10)6(4)9/h1-2H
(3)InChIKey: CAYJMDVKWMVOLG-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C6H2BrCl2F/c7-4-1-3(8)2-5(10)6(4)9/h1-2H
(5)Std. InChIKey: CAYJMDVKWMVOLG-UHFFFAOYSA-N