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| CAS No.: | 16296-72-3 |
|---|---|
| Name: | 5-BROMOBENZO[B]THIOPHENE-3-CARBALDEHYDE |
| Article Data: | 11 |
| Molecular Structure: | |
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| Formula: | C9H5BrOS |
| Molecular Weight: | 241.108 |
| Synonyms: | 5-Bromobenzothiophene-3-carboxaldehyde;5-Bromo-3-formylbenzo[b]thiophene; |
| Density: | 1.711 g/cm3 |
| Melting Point: | 106 °C |
| Boiling Point: | 360.498 °C at 760 mmHg |
| Flash Point: | 171.823 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22-36 |
| Safety: | 26 |
| PSA: | 45.31000 |
| LogP: | 3.47630 |
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Specification
The Benzo[b]thiophene-3-carboxaldehyde,5-bromo- is an organic compound with the formula C9H5BrOS. The IUPAC name of this chemical is 5-Bromo-1-benzothiophene-3-carbaldehyde. With the CAS registry number 16296-72-3, it is also named as 5-Bromobenzo[b]thiophene-3-carboxaldehyde. Besides, its molecular weight is 241.1.
Physical properties about Benzo[b]thiophene-3-carboxaldehyde,5-bromo- are: (1)ACD/LogP: 4.57; (2)ACD/LogD (pH 5.5): 4.57; (3)ACD/LogD (pH 7.4): 4.57; (4)ACD/BCF (pH 5.5): 1761.07; (5)ACD/BCF (pH 7.4): 1761.07; (6)ACD/KOC (pH 5.5): 7326.98; (7)ACD/KOC (pH 7.4): 7326.98; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 45.31 Å2; (11)Index of Refraction: 1.741; (12)Molar Refractivity: 56.92 cm3; (13)Molar Volume: 140.8 cm3; (14)Polarizability: 22.56×10-24 cm3; (15)Surface Tension: 58.6 dyne/cm; (16)Density: 1.711 g/cm3; (17)Flash Point: 171.8 °C; (18)Enthalpy of Vaporization: 60.62 kJ/mol; (19)Boiling Point: 360.5 °C at 760 mmHg; (20)Vapour Pressure: 2.21E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C9H5BrOS/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-5H
(2)InChIKey: LQLMHAYNFMAEHI-UHFFFAOYAJ
(3)Std. InChI: InChI=1S/C9H5BrOS/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-5H
(4)Std. InChIKey: LQLMHAYNFMAEHI-UHFFFAOYSA-N