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CAS No.: | 3675-69-2 |
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Name: | 1,2,2-tribromobutane |
Molecular Structure: | |
Formula: | C4H7Br3 |
Molecular Weight: | 294.812 |
Synonyms: | 1,2,2-tribromobutane;Butane, 1,2,2-tribromo-;Einecs 222-947-0 |
EINECS: | 222-947-0 |
Density: | 2.197 g/cm3 |
Melting Point: | -16.79°C (estimate) |
Boiling Point: | 213.8 °C at 760 mmHg |
Flash Point: | 83.9 °C |
PSA: | 0.00000 |
LogP: | 3.27740 |
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The Butane, 1,2,2-tribromo- is an organic compound with the formula C4H7Br3. With the CAS registry number 3675-69-2, the IUPAC name of this chemical is 1,2,2-tribromobutane.
Physical properties about Butane, 1,2,2-tribromo- are: (1)ACD/LogP: 3.71; (2)ACD/LogD (pH 5.5): 3.71; (3)ACD/LogD (pH 7.4): 3.71; (4)ACD/BCF (pH 5.5): 389.83; (5)ACD/BCF (pH 7.4): 389.83; (6)ACD/KOC (pH 5.5): 2489.73; (7)ACD/KOC (pH 7.4): 2489.73; (8)#Freely Rotating Bonds: 2; (9)Index of Refraction: 1.565; (10)Molar Refractivity: 43.74 cm3; (11)Molar Volume: 134.1 cm3; (12)Polarizability: 17.34×10-24cm3; (13)Surface Tension: 42.6 dyne/cm; (14)Density: 2.197 g/cm3; (15)Flash Point: 83.9 °C; (16)Enthalpy of Vaporization: 43.18 kJ/mol; (17)Boiling Point: 213.8 °C at 760 mmHg; (18)Vapour Pressure: 0.235 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: BrC(Br)(CC)CBr
(2)InChI: InChI=1/C4H7Br3/c1-2-4(6,7)3-5/h2-3H2,1H3
(3)InChIKey: LMTXANJNYFUPOZ-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C4H7Br3/c1-2-4(6,7)3-5/h2-3H2,1H3
(5)Std. InChIKey: LMTXANJNYFUPOZ-UHFFFAOYSA-N