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| CAS No.: | 38436-14-5 |
|---|---|
| Name: | 1H,1H,2H,2H-PERFLUOROHEXYL BROMIDE |
| Molecular Structure: | |
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| Formula: | C6H4BrF9 |
| Molecular Weight: | 326.987 |
| Synonyms: | 1-Bromo-3,3,4,4,5,5,6,6,6-nonafluorohexane;3,3,4,4,5,5,6,6,6-Nonafluorohexyl bromide;6-Bromo-1,1,1,2,2,3,3,4,4-nonafluorohexane; |
| Density: | 1.721 g/cm3 |
| Boiling Point: | 128.1 °C at 760 mmHg |
| Flash Point: | 31.3 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 0.00000 |
| LogP: | 4.23960 |
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Specification
This chemical is called 1H,1H,2H,2H-Perfluorohexyl bromide, and its systematic name is 6-bromo-1,1,1,2,2,3,3,4,4-nonafluorohexane. With the molecular formula of C6H4BrF9, its molecular weight is 326.99. The CAS registry number of this chemical is 38436-14-5. Additionally, this chemical should be stored sealed in the cool and dry plcace.
Other characteristics of the 1H,1H,2H,2H-Perfluorohexyl bromide can be summarised as followings: (1)ACD/LogP: 4.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.38; (4)ACD/LogD (pH 7.4): 4.38; (5)ACD/BCF (pH 5.5): 1251.46; (6)ACD/BCF (pH 7.4): 1251.46; (7)ACD/KOC (pH 5.5): 5737.59; (8)ACD/KOC (pH 7.4): 5737.59; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.331; (14)Molar Refractivity: 38.91 cm3; (15)Molar Volume: 189.9 cm3; (16)Polarizability: 15.42×10-24cm3; (17)Surface Tension: 17.5 dyne/cm; (18)Density: 1.721 g/cm3; (19)Flash Point: 31.3 °C; (20)Enthalpy of Vaporization: 35.07 kJ/mol; (21)Boiling Point: 128.1 °C at 760 mmHg; (22)Vapour Pressure: 13.1 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, so you should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: FC(F)(C(F)(F)C(F)(F)F)C(F)(F)CCBr
2.InChI: InChI=1/C6H4BrF9/c7-2-1-3(8,9)4(10,11)5(12,13)6(14,15)16/h1-2H2
3.InChIKey: UDFSAZKDTBRQDY-UHFFFAOYAV