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| CAS No.: | 352-33-0 |
|---|---|
| Name: | 1-Chloro-4-fluorobenzene |
| Molecular Structure: | |
|
|
|
| Formula: | C6H4ClF |
| Molecular Weight: | 130.549 |
| Synonyms: | 1-Fluoro-4-chlorobenzene; |
| EINECS: | 206-521-1 |
| Density: | 1.236 g/cm3 |
| Melting Point: | -21.5 °C |
| Boiling Point: | 132.5 °C at 760 mmHg |
| Flash Point: | 27.4 °C |
| Appearance: | Clear colourless to light yellow liquid |
| Hazard Symbols: |
 Xi,  F,  T
|
| Risk Codes: | 10-36/37/38-39/23/24/25-23/24/25 |
| Safety: | 16-26-36-37/39-45-36/37 |
| Transport Information: | UN 1993 3/PG 3 |
| PSA: | 0.00000 |
| LogP: | 2.47910 |
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Specification
The 1-Chloro-4-fluorobenzene with cas registry number of 352-33-0 is also known a 4-Chlorofluorobenzene. It is clear colourless to light yellow liquid with EINECS registry number of 206-521-1. Both its systematic name and IUPAC name are the same which is called 1-chloro-4-fluorobenzene. This chemical belongs to the following categories: Aromatic Hydrocarbons (substituted) & Derivatives; Chlorine Compounds; Fluorine Compounds; Aryl; C6; Halogenated Hydrocarbons; Gasoline, Diesel, Petroleum; Alpha Sort; CAlphabetic; CHChemical Class; Environmental Standards; FluoroEPA; Gasoline Range organics (GRO)Chromatography; Halogenated; UST/GRO/DRO; Volatiles/ Semivolatiles.
The physical properties about this chemical are: (1)ACD/LogP: 2.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.82; (4)ACD/LogD (pH 7.4): 2.82; (5)ACD/BCF (pH 5.5): 81.18; (6)ACD/BCF (pH 7.4): 81.18; (7)ACD/KOC (pH 5.5): 809.83; (8)ACD/KOC (pH 7.4): 809.83; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.501; (13)Molar Refractivity: 31.14 cm3; (14)Molar Volume: 105.5 cm3 ; (15)Surface Tension: 31.5 dyne/cm; (16)Density: 1.236 g/cm3; (17)Flash Point: 27.4 °C; (18)Enthalpy of Vaporization: 35.48 kJ/mol; (19)Boiling Point: 132.5 °C at 760 mmHg; (20)Vapour Pressure: 10.8 mmHg at 25°C ; (21)Melting point: -21.5 °C; (22)Refractive index: 1.494-1.496.
Preparation of 1-Chloro-4-fluorobenzene: it can be made by 4-fluoro-phenol with reagent phenylphosphorus tetrachloride at temperature of 160 ℃. You can get yield of 81 %.
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Uses of 1-Chloro-4-fluorobenzene: it can react with 1-bromo-4-methoxy-benzene to prepare (4'-fluoro-biphenyl-4-yl)-methyl ether by using reagents NaH, Ni (OAc)2, 2,2 '-bipyridyl, KI and solvents benzene, tetrahydrofuran at temperature of 63 ℃. The reaction time is 1 hour with 72% yield.
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When you are using this chemical, please be cautious about it as the following:
Keep away from sources of ignition - No smoking for this chemial is flammable. It is irritating to eyes, respiratory system and skin an toxic by inhalation, in contact with skin and if swallowed. Therefore, it is better to 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. If you feel unwell, seek medical advice immediately (show label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(Cl)cc1;
(2)InChI: InChI=1/C6H4ClF/c7-5-1-3-6(8)4-2-5/h1-4H;
(3)InChIKey: RJCGZNCCVKIBHO-UHFFFAOYAG