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| CAS No.: | 17823-40-4 |
|---|---|
| Name: | 4-BROMO-2,3,5,6-TETRAFLUOROBENZONITRILE |
| Article Data: | 4 |
| Molecular Structure: | |
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|
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| Formula: | C7BrF4N |
| Molecular Weight: | 253.981 |
| Synonyms: | 4-Bromo-2,3,5,6-tetrafluorobenzonitrile;4-Bromotetrafluorobenzonitrile; |
| Density: | 1.91 g/cm3 |
| Melting Point: | 77-79 °C |
| Boiling Point: | 203.7 °C at 760mmHg |
| Flash Point: | 77 °C |
| Hazard Symbols: |
 Xn' Xi
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36 |
| PSA: | 23.79000 |
| LogP: | 2.87718 |
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Specification
The CAS registry number of Benzonitrile,4-bromo-2,3,5,6-tetrafluoro- is 17823-40-4. It belongs to the product categories of C6 to C7; Cyanides/Nitriles; Nitrogen Compounds. This chemical's molecular formula is C7BrF4N and molecular weight is 253.98. What's more, its systematic name is called 4-Bromo-2,3,5,6-tetrafluorobenzonitrile.
Physical properties about Benzonitrile,4-bromo-2,3,5,6-tetrafluoro- are: (1)ACD/LogP: 1.58; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.58; (4)ACD/LogD (pH 7.4): 1.58; (5)ACD/BCF (pH 5.5): 9.35; (6)ACD/BCF (pH 7.4): 9.35; (7)ACD/KOC (pH 5.5): 172.46; (8)ACD/KOC (pH 7.4): 172.46; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 23.79Å2; (13)Index of Refraction: 1.508; (14)Molar Refractivity: 39.49 cm3; (15)Molar Volume: 132.4 cm3; (16)Polarizability: 15.65×10-24 cm3; (17)Surface Tension: 40.1 dyne/cm; (18)Density: 1.91 g/cm3; (19)Flash Point: 77 °C; (20)Enthalpy of Vaporization: 43.99 kJ/mol; (21)Boiling Point: 203.7 °C at 760 mmHg; (22)Vapour Pressure: 0.274 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical is harmful by inhalation, in contact with skin and if swallowed and may cause damage to health. It is also irritanting to eyes, respiratory system and skin and may cause inflammation to the skin or other mucous membranes. In addition, in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You also shoule wear suitable protective clothing. What's more, it should be stored in a cool, dry and sealing place.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1c(C#N)c(F)c(F)c(Br)c1F
(2) InChI: InChI=1/C7BrF4N/c8-3-6(11)4(9)2(1-13)5(10)7(3)12
(3) InChIKey: STJZOKCIEOTPDV-UHFFFAOYAK