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| CAS No.: | 62127-47-3 |
|---|---|
| Name: | 2,2,3-TRIBROMOBUTANE |
| Molecular Structure: | |
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| Formula: | C4H7Br3 |
| Molecular Weight: | 294.812 |
| Synonyms: | 2,2,3-TRIBROMOBUTANE;2,2,3-tribromo-butan;tribromobutane;Butane, 2,2,3-tribromo-;Inchi=1/C4H7br3/C1-3(5)4(2,6)7/H3H,1-2h |
| EINECS: | 263-424-7 |
| Density: | 2.191 g/cm3 |
| Melting Point: | 1.85°C |
| Boiling Point: | 206 °C at 760 mmHg |
| Flash Point: | 77.2 °C |
| PSA: | 0.00000 |
| LogP: | 3.27580 |
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Specification
This chemical is called Butane, 2,2,3-tribromo-, and its systematic name is 2,2,3-tribromobutane. With the molecular formula of C4H7Br3, its molecular weight is 294.81. The CAS registry number of this chemical is 62127-47-3. In addition, this chemical should be sealed in the cool and dry place, away from oxides.
Other characteristics of the Butane, 2,2,3-tribromo- can be summarised as followings: (1)ACD/LogP: 3.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.53; (4)ACD/LogD (pH 7.4): 3.53; (5)ACD/BCF (pH 5.5): 282.53; (6)ACD/BCF (pH 7.4): 282.53; (7)ACD/KOC (pH 5.5): 1977.33; (8)ACD/KOC (pH 7.4): 1977.33; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.563; (13)Molar Refractivity: 43.7 cm3; (14)Molar Volume: 134.5 cm3; (15)Polarizability: 17.32×10-24cm3; (16)Surface Tension: 40.8 dyne/cm; (17)Density: 2.191 g/cm3; (18)Flash Point: 77.2 °C; (19)Enthalpy of Vaporization: 42.42 kJ/mol; (20)Boiling Point: 206 °C at 760 mmHg; (21)Vapour Pressure: 0.348 mmHg at 25°C.
Uses of this chemical: The 2,2,3-tribromo-butane could be obtained by the reactant of Butane, 2,2,3-tribromo-. This reaction needs the reagent of bromine. This reaction should be taken with the irradiation.
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You can still convert the following datas into molecular structure:
1.SMILES: BrC(C)C(Br)(Br)C
2.InChI: InChI=1/C4H7Br3/c1-3(5)4(2,6)7/h3H,1-2H3
3.InChIKey: JDWNTZIECWWBAO-UHFFFAOYAR