Products Categories
CAS No.: | 10134-91-5 |
---|---|
Name: | BENZO[B]THIOPHENE-7-CARBALDEHYDE |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C9H6OS |
Molecular Weight: | 162.21 |
Synonyms: | 7-Benzothienylcarboxaldehyde;7-Formylbenzo[b]thiophene;Benzo[b]thiophene-7-carboxaldehyde 97%;1-benzothiophene-7-carbaldehyde; |
Density: | 1.301g/cm3 |
Melting Point: | 42 °C |
Boiling Point: | 303.204 °C at 760 mmHg |
Flash Point: | 137.173 °C |
Hazard Symbols: | Xn |
Risk Codes: | Harmful:; "> Harmful:; |
PSA: | 45.31000 |
LogP: | 2.71380 |
What can I do for you?
Get Best Price
The Benzo[b]thiophene-7-carboxaldehyde has the CAS registry number 10134-91-5. This chemical's molecular formula is C9H6OS and molecular weight is 162.21. What's more, its systematic name is 1-benzothiophene-7-carbaldehyde.
Physical properties of Benzo[b]thiophene-7-carboxaldehyde are: (1)ACD/LogP: 2.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 456; (6)ACD/BCF (pH 7.4): 456; (7)ACD/KOC (pH 5.5): 2787; (8)ACD/KOC (pH 7.4): 2787; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.31 Å2; (13)Index of Refraction: 1.72; (14)Molar Refractivity: 49.233 cm3; (15)Molar Volume: 124.695 cm3; (16)Polarizability: 19.517×10-24 cm3; (17)Surface Tension: 54.836 dyne/cm; (18)Density: 1.301 g/cm3; (19)Flash Point: 137.173 °C; (20)Enthalpy of Vaporization: 54.348 kJ/mol; (21)Boiling Point: 303.204 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=Cc1cccc2ccsc12
(2)InChI: InChI=1/C9H6OS/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-6H
(3)InChIKey: WSSVAOKEXMFMIO-UHFFFAOYAI