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| CAS No.: | 32431-93-9 |
|---|---|
| Name: | 4-BROMO-2-CHLOROTHIOPHENE |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C4H2BrClS |
| Molecular Weight: | 197.483 |
| Synonyms: | 4-Bromo-2-chlorothiophene;thiophene, 4-bromo-2-chloro-; |
| Density: | 1.844 g/cm3 |
| Boiling Point: | 188 °C at 760 mmHg |
| Flash Point: | 67.5 °C |
| PSA: | 28.24000 |
| LogP: | 3.16400 |
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Specification
The CAS register number of 4-Bromo-2-chlorothiophene is 32431-93-9. It also can be called as thiophene, 4-bromo-2-chloro- and the IUPAC name about this chemical is 4-bromo-2-chlorothiophene. The molecular formula about this chemical is C4H2BrClS and the molecular weight is 197.48.
Physical properties about 4-Bromo-2-chlorothiophene are: (1)ACD/LogP: 3.21; (2)ACD/LogD (pH 5.5): 3.21; (3)ACD/LogD (pH 7.4): 3.21; (4)ACD/BCF (pH 5.5): 163.19; (5)ACD/BCF (pH 7.4): 163.19; (6)ACD/KOC (pH 5.5): 1334.94; (7)ACD/KOC (pH 7.4): 1334.94; (8)Polar Surface Area: 28.24Å2; (9)Index of Refraction: 1.612; (10)Molar Refractivity: 37.22 cm3; (11)Molar Volume: 107 cm3; (12)Polarizability: 14.75x10-24cm3; (13)Surface Tension: 44.7 dyne/cm; (14)Flash Point: 67.5 °C; (15)Enthalpy of Vaporization: 40.68 kJ/mol; (16)Boiling Point: 188 °C at 760 mmHg; (17)Vapour Pressure: 0.845 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1csc(Cl)c1
(2)InChI: InChI=1/C4H2BrClS/c5-3-1-4(6)7-2-3/h1-2H
(3)InChIKey: FEDTVFXCDOSSOK-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C4H2BrClS/c5-3-1-4(6)7-2-3/h1-2H
(5)Std. InChIKey: FEDTVFXCDOSSOK-UHFFFAOYSA-N