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CAS No.: | 179897-90-6 |
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Name: | 1-Chloro-2,6-dibromo-4-fluorobenzene |
Molecular Structure: | |
Formula: | C6H2Br2ClF |
Molecular Weight: | 288.341 |
Synonyms: | 1,3-Dibromo-2-chloro-5-fluorobenzene;1-Chloro-2,6-dibromo-4-fluorobenzene; |
EINECS: | -0 |
Density: | 2.089 g/cm3 |
Melting Point: | 85-87 °C |
Boiling Point: | 260.3 °C at 760 mmHg |
Flash Point: | 111.2 °C |
Appearance: | Pink to pink-brown needles |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 24/25 |
PSA: | 0.00000 |
LogP: | 4.00410 |
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The CAS register number of 1-Chloro-2,6-dibromo-4-fluorobenzene is 179897-90-6. It also can be called as 1-Chloro-2,6-dibromo-4-fluorobenzene and the systematic name about this chemical is 1,3-dibromo-2-chloro-5-fluorobenzene. The molecular formula about this chemical is C6H2Br2ClF and the molecular weight is 288.34. It belongs to the following product categories which include API intermediates; Bromine Compounds; Chlorine Compounds; Fluorine Compounds and so on.
Physical properties about 1-Chloro-2,6-dibromo-4-fluorobenzene are: (1)ACD/LogP: 4.11; (2)ACD/LogD (pH 5.5): 4.11; (3)ACD/LogD (pH 7.4): 4.11; (4)ACD/BCF (pH 5.5): 785.61; (5)ACD/BCF (pH 7.4): 785.61; (6)ACD/KOC (pH 5.5): 4111.4; (7)ACD/KOC (pH 7.4): 4111.4; (8)Index of Refraction: 1.589; (9)Molar Refractivity: 46.52 cm3; (10)Molar Volume: 137.9 cm3; (11)Polarizability: 18.44x10-24cm3; (12)Surface Tension: 42 dyne/cm; (13)Density: 2.089 g/cm3; (14)Flash Point: 111.2 °C; (15)Enthalpy of Vaporization: 47.79 kJ/mol; (16)Boiling Point: 260.3 °C at 760 mmHg; (17)Vapour Pressure: 0.0199 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, avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(F)cc(Br)c1Cl
(2)InChI: InChI=1/C6H2Br2ClF/c7-4-1-3(10)2-5(8)6(4)9/h1-2H
(3)InChIKey: PZKDJJMHRYNBOR-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C6H2Br2ClF/c7-4-1-3(10)2-5(8)6(4)9/h1-2H
(5)Std. InChIKey: PZKDJJMHRYNBOR-UHFFFAOYSA-N