-
Name
1,4-Dibromotetrafluorobenzene
- EINECS 206-448-5
- CAS No. 344-03-6
- Article Data7
- CAS DataBase
- Density 2.22 g/cm3
- Solubility
- Melting Point 78-81 ºC
- Formula C6Br2F4
- Boiling Point 191.9 °C at 760 mmHg
- Molecular Weight 307.868
- Flash Point 69.9 ºC
- Transport Information
- Appearance white crystalline powder
- Safety 26-37/39
- Risk Codes 36/37/38
-
Molecular Structure
-
Hazard Symbols
Xi
- Synonyms Benzene,1,4-dibromotetrafluoro- (7CI,8CI);1,4-Dibromo-2,3,5,6-tetrafluorobenzene;1,4-Dibromoperfluorobenzene;Benzene,1,4-dibromo-2,3,5,6-tetrafluoro-;NSC 97061;p-Dibromotetrafluorobenzene;
- PSA 0.00000
- LogP 3.76800
1,4-Dibromotetrafluorobenzene Specification
The 1,4-Dibromotetrafluorobenzene, with the CAS registry number 344-03-6, is also known as p-Dibromotetrafluorobenzene. It belongs to the product categories of Aryl; C6; Halogenated Hydrocarbons. Its EINECS number is 206-448-5. This chemical's molecular formula is C6Br2F4 and molecular weight is 307.87. What's more, its systematic name is 1,4-dibromo-2,3,5,6-tetrafluorobenzene.
Physical properties of 1,4-Dibromotetrafluorobenzene are: (1)ACD/LogP: 3.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.64; (4)ACD/BCF (pH 5.5): 343.22; (5)ACD/KOC (pH 5.5): 2272.84; (6)Index of Refraction: 1.512; (7)Molar Refractivity: 41.6 cm3; (8)Molar Volume: 138.6 cm3; (9)Surface Tension: 34.8 dyne/cm; (10)Density: 2.22 g/cm3; (11)Flash Point: 69.9 °C; (12)Enthalpy of Vaporization: 41.06 kJ/mol; (13)Boiling Point: 191.9 °C at 760 mmHg; (14)Vapour Pressure: 0.699 mmHg at 25°C.
Uses of 1,4-Dibromotetrafluorobenzene: it can be used to produce Tetrafluor-1,4-dihex-1-inyl-benzol at the temperature of 80 °C. It will need reagent (i-Pr)2NH and solvent 1,2-dimethoxy-ethane with the reaction time of 9 hours. This reaction will also need catalyst PdCl2(PPh3)2, CuI. The yield is about 74%.
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When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing and gloves.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1(=C(C(=C(C(=C1Br)F)F)Br)F)F
(2)InChI: InChI=1S/C6Br2F4/c7-1-3(9)5(11)2(8)6(12)4(1)10
(3)InChIKey: QFTZULJNRAHOIY-UHFFFAOYSA-N
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