Benzo[b]thiophene-3-carboxaldehyde,5-chloro- supplier

Name
5-CHLORO-1-BENZOTHIOPHENE-3-CARBALDEHYDE
EINECS
CAS No. 16296-68-7
Density 1.439 g/cm³
Solubility
Melting Point 109 °C
Formula C₉H₅ClOS
Boiling Point 338.8 °C at 760 mmHg
Molecular Weight 196.657
Flash Point 158.7 °C
Transport Information
Appearance
Safety 26
Risk Codes 22-36
Molecular Structure
Hazard Symbols Xi
Synonyms 5-Chlorobenzo[b]thiophene-3-carboxaldehyde;
PSA 45.31000
LogP 3.36720

Benzo[b]thiophene-3-carboxaldehyde,5-chloro- Specification

The Benzo[b]thiophene-3-carboxaldehyde,5-chloro-, with the CAS registry number 16296-68-7, is also known as 5-Chlorobenzo[b]thiophene-3-carboxaldehyde. This chemical's molecular formula is C₉H₅ClOS and molecular weight is 196.6534. What's more, its systematic name is called 5-Chloro-1-benzothiophene-3-carbaldehyde.

Physical properties about Benzo[b]thiophene-3-carboxaldehyde,5-chloro- are: (1)ACD/LogP: 4.40; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.4; (4)ACD/LogD (pH 7.4): 4.4; (5)ACD/BCF (pH 5.5): 1292.78; (6)ACD/BCF (pH 7.4): 1292.78; (7)ACD/KOC (pH 5.5): 5872.59; (8)ACD/KOC (pH 7.4): 5872.59; (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: 1.722; (14)Molar Refractivity: 54.12 cm³; (15)Molar Volume: 136.6 cm³; (16)Polarizability: 21.45×10^-24 cm³; (17)Surface Tension: 56.8 dyne/cm; (18)Density: 1.439 g/cm³; (19)Flash Point: 158.7 °C; (20)Enthalpy of Vaporization: 58.21 kJ/mol; (21)Boiling Point: 338.8 °C at 760 mmHg; (22)Vapour Pressure: 9.61E-05 mmHg at 25 °C; (23)Melting Point: 109 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc2cc1c(scc1C=O)cc2
(2) InChI: InChI=1/C9H5ClOS/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-5H
(3) InChIKey: JDEWSTAKAXZTOX-UHFFFAOYAY

Product Name

5-CHLORO-1-BENZOTHIOPHENE-3-CARBALDEHYDE

Benzo[b]thiophene-3-carboxaldehyde,5-chloro- Specification

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