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CAS No.: | 664-03-9 |
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Name: | 1-BROMO-2,3,4-TRICHLORO-1,1,2-TRIFLUOROBUTANE |
Molecular Structure: | |
Formula: | C4H3BrCl3F3 |
Molecular Weight: | 294.326 |
Synonyms: | 1-Bromo-2,3,4-trichloro-1,1,2-trifluorobutane; |
Density: | 1.854 g/cm3 |
Boiling Point: | 181.7 °C at 760 mmHg |
Flash Point: | 63.7 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 0.00000 |
LogP: | 3.72490 |
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The CAS registry number of Butane,1-bromo-2,3,4-trichloro-1,1,2-trifluoro- is 664-03-9. This chemical's molecular formula is C4H3BrCl3F3 and molecular weight is 294.3248. What's more, both its IUPAC name and systematic name are the same which is called 1-Bromo-2,3,4-trichloro-1,1,2-trifluorobutane.
Physical properties about Butane,1-bromo-2,3,4-trichloro-1,1,2-trifluoro- are: (1)ACD/LogP: 4.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.3; (4)ACD/LogD (pH 7.4): 4.3; (5)ACD/BCF (pH 5.5): 1100.31; (6)ACD/BCF (pH 7.4): 1100.31; (7)ACD/KOC (pH 5.5): 5232.57; (8)ACD/KOC (pH 7.4): 5232.57; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.457; (14)Molar Refractivity: 43.24 cm3; (15)Molar Volume: 158.7 cm3; (16)Polarizability: 17.14×10-24 cm3; (17)Surface Tension: 31.1 dyne/cm; (18)Density: 1.854 g/cm3; (19)Flash Point: 63.7 °C; (20)Enthalpy of Vaporization: 40.08 kJ/mol; (21)Boiling Point: 181.7 °C at 760 mmHg; (22)Vapour Pressure: 1.15 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. 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: ClC(C(Cl)(F)C(Br)(F)F)CCl
(2) InChI: InChI=1/C4H3BrCl3F3/c5-4(10,11)3(8,9)2(7)1-6/h2H,1H2
(3) InChIKey: GGKDLFPUVNFPNY-UHFFFAOYAW