5-Bromobenzo[b]thiophene-3-carbaldehyde supplier

Name
5-BROMOBENZO[B]THIOPHENE-3-CARBALDEHYDE
EINECS
CAS No. 16296-72-3
Article Data11
CAS DataBase
Density 1.711 g/cm³
Solubility
Melting Point 106 °C
Formula C₉H₅BrOS
Boiling Point 360.498 °C at 760 mmHg
Molecular Weight 241.108
Flash Point 171.823 °C
Transport Information
Appearance
Safety 26
Risk Codes 22-36
Molecular Structure
Hazard Symbols Xn
Synonyms 5-Bromobenzothiophene-3-carboxaldehyde;5-Bromo-3-formylbenzo[b]thiophene;
PSA 45.31000
LogP 3.47630

5-Bromobenzo[b]thiophene-3-carbaldehyde 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

Product Name

5-BROMOBENZO[B]THIOPHENE-3-CARBALDEHYDE

5-Bromobenzo[b]thiophene-3-carbaldehyde Specification

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