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CAS No.: | 406-42-8 |
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Name: | 1,3-DIBROMO-1,1-DIFLUOROBUTANE |
Molecular Structure: | |
Formula: | C4H6Br2F2 |
Molecular Weight: | 251.896 |
Synonyms: | 1,3-Dibromo-1,1-difluorobutane; |
Density: | 1.904 g/cm3 |
Melting Point: | 62-64 ºC |
Boiling Point: | 143.8 °C at 760 mmHg |
Flash Point: | 40.8°C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 0.00000 |
LogP: | 3.14760 |
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The CAS registry number of Butane,1,3-dibromo-1,1-difluoro- is 406-42-8. This chemical's molecular formula is C4H6Br2F2 and molecular weight is 251.8952. What's more, both its IUPAC name and systematic name are the same which is called 1,3-Dibromo-1,1-difluorobutane.
Physical properties about Butane,1,3-dibromo-1,1-difluoro- are: (1)ACD/LogP: 3.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.19; (4)ACD/LogD (pH 7.4): 3.19; (5)ACD/BCF (pH 5.5): 157.42; (6)ACD/BCF (pH 7.4): 157.42; (7)ACD/KOC (pH 5.5): 1300.98; (8)ACD/KOC (pH 7.4): 1300.98; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.461; (14)Molar Refractivity: 36.29 cm3; (15)Molar Volume: 132.2 cm3; (16)Polarizability: 14.38×10-24 cm3; (17)Surface Tension: 29 dyne/cm; (18)Density: 1.904 g/cm3; (19)Flash Point: 40.8 °C; (20)Enthalpy of Vaporization: 36.52 kJ/mol; (21)Boiling Point: 143.8 °C at 760 mmHg; (22)Vapour Pressure: 6.6 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it may cause inflammation to the skin or other mucous membranes. Besides, this chemical irritates to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes or skin, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: BrC(C)CC(Br)(F)F
(2) InChI: InChI=1/C4H6Br2F2/c1-3(5)2-4(6,7)8/h3H,2H2,1H3
(3) InChIKey: DYWJVIZPXZXUML-UHFFFAOYAI