Benzo[b]thiophene-2-carboxylic acid, 6-chloro- supplier

Name
6-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID
EINECS
CAS No. 26018-73-5
Article Data10
CAS DataBase
Density 1.546 g/cm³
Solubility
Melting Point 271-274
Formula C₉H₅ClO₂S
Boiling Point 408.6 °C at 760 mmHg
Molecular Weight 212.65
Flash Point 200.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Carboxy-6-chlorobenzo[b]thiophene;6-Chlorobenzo[b]thiophene-2-carboxylic acid;
PSA 65.54000
LogP 3.25290

Benzo[b]thiophene-2-carboxylic acid, 6-chloro- Specification

The Benzo[b]thiophene-2-carboxylic acid, 6-chloro-, with the CAS registry number 26018-73-5, is also known as 6-Chloro-1-benzothiophene-2-carboxylic acid and 6-Chlorobenzo[b]thiophene-2-carboxylic acid. This chemical's molecular formula is C₉H₅ClO₂S and molecular weight is 212.65. What's more, its systematic name is 6-Chloro-1-benzothiophene-2-carboxylic acid.

Physical properties about Benzo[b]thiophene-2-carboxylic acid, 6-chloro are: (1)ACD/LogP: 4.65; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.53; (4)ACD/LogD (pH 7.4): 1.55; (5)ACD/BCF (pH 5.5): 15.34; (6)ACD/BCF (pH 7.4): 1.61; (7)ACD/KOC (pH 5.5): 61.39; (8)ACD/KOC (pH 7.4): 6.43; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 54.54 Å²; (13)Index of Refraction: 1.719; (14)Molar Refractivity: 54.3 cm³; (15)Molar Volume: 137.5 cm³; (16)Polarizability: 21.52×10^-24cm³; (17)Surface Tension: 66.2 dyne/cm; (18)Density: 1.546 g/cm³; (19)Flash Point: 200.9 °C; (20)Enthalpy of Vaporization: 69.66 kJ/mol; (21)Boiling Point: 408.6 °C at 760 mmHg; (22)Vapour Pressure: 2.08E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc2ccc1c(sc(c1)C(=O)O)c2
(2) InChI: InChI=1/C9H5ClO2S/c10-6-2-1-5-3-8(9(11)12)13-7(5)4-6/h1-4H,(H,11,12)
(3) InChIKey: AVAGKGZNBMZOLD-UHFFFAOYAI

Product Name

6-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID

Benzo[b]thiophene-2-carboxylic acid, 6-chloro- Specification

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