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CAS No.: | 1529-68-6 |
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Name: | 1,2,3,4-Tetrabromobutane |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C4H6Br4 |
Molecular Weight: | 373.708 |
Synonyms: | Fire Guard 5000;NSC 505;Tetrabromobutane; |
EINECS: | 216-221-2 |
Density: | 2.524 g/cm3 |
Melting Point: | 40-41oC |
Boiling Point: | 309.609 °C at 760 mmHg |
Flash Point: | 138.338 °C |
Risk Codes: | R20/21; R36/37/38; R42/43; R65 |
PSA: | 0.00000 |
LogP: | 3.30320 |
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This chemical is called 1,2,3,4-Tetrabromobutane, and its CAS registry number is 1529-68-6. With the molecular formula of C4H6Br4, its molecular weight is 373.71. Additionally, it's used as flame fetardant for self-extinguishing polystyrene foam.
Other characteristics of the 1,2,3,4-Tetrabromobutane can be summarised as followings: (1)ACD/LogP: 4.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.69; (4)ACD/LogD (pH 7.4): 4.69; (5)ACD/BCF (pH 5.5): 2154.04; (6)ACD/BCF (pH 7.4): 2154.04; (7)ACD/KOC (pH 5.5): 8463.3; (8)ACD/KOC (pH 7.4): 8463.3; (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: 1.611; (14)Molar Refractivity: 51.42 cm3; (15)Molar Volume: 148 cm3; (16)Polarizability: 20.38×10-24cm3; (17)Surface Tension: 50.4 dyne/cm; (18)Density: 2.524 g/cm3; (19)Flash Point: 138.3 °C; (20)Enthalpy of Vaporization: 52.84 kJ/mol; (21)Boiling Point: 309.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00115 mmHg at 25°C.
Production method of this chemical: The 1,2,3,4-Tetrabromobutane could be obtained by the reactant of 2-bromo-butane. This reaction needs the reagent of bromine. The yield is 9 %. In addition, this reaction should be taken for 15 minutes at the temperature of 100 °C.
You can still convert the following datas into molecular structure:
1.SMILES: BrC(CBr)C(Br)CBr
2.InChI: InChI=1/C4H6Br4/c5-1-3(7)4(8)2-6/h3-4H,1-2H2
3.InChIKey: HGRZLIGHKHRTRE-UHFFFAOYAE