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CAS No.: | 422-85-5 |
---|---|
Name: | Heptafluoro-n-propyl bromide |
Article Data: | 22 |
Molecular Structure: | |
Formula: | C3BrF7 |
Molecular Weight: | 248.926 |
Synonyms: | Propane,1-bromoheptafluoro- (6CI,7CI,8CI);1-Bromoheptafluoropropane;1-Bromoperfluoropropane;Heptafluoropropyl bromide;Perfluoropropyl bromide; |
EINECS: | 207-023-7 |
Density: | 1.921 g/cm3 |
Boiling Point: | 16.8 °C at 760 mmHg |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 23-36 |
Transport Information: | UN 3163 |
PSA: | 0.00000 |
LogP: | 3.17170 |
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The Heptafluoro-n-propyl bromide, with the CAS registry number of 422-85-5, is also known as n-Heptafluoropropyl bromide. Its EINECS registry number is 207-023-7. This chemical's molecular formula is C3BrF7 and molecular weight is 248.9249. What's more, its IUPAC name is 1-Bromo-1, 1, 2, 2, 3, 3, 3-heptafluoropropane.
Physical properties about Heptafluoro-n-propyl bromide are: (1)ACD/LogP: 3.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.93; (4)ACD/LogD (pH 7.4): 3.93; (5)ACD/BCF (pH 5.5): 575.48; (6)ACD/BCF (pH 7.4): 575.48; (7)ACD/KOC (pH 5.5): 3290.26; (8)ACD/KOC (pH 7.4): 3290.26; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.306; (14)Molar Refractivity: 24.72 cm3; (15)Molar Volume: 129.5 cm3; (16)Surface Tension: 15.1 dyne/cm; (17)Density: 1.921 g/cm3; (18)Enthalpy of Vaporization: 25.31 kJ/mol; (19)Boiling Point: 16.8 °C at 760 mmHg; (20)Vapour Pressure: 1020 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing. In case of contact 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)(F)C(F)(F)C(Br)(F)F
(2) InChI: InChI=1/C3BrF7/c4-2(7,8)1(5,6)3(9,10)11
(3) InChIKey: LANNRYWUUQMNPF-UHFFFAOYAQ