Benzo[b]thiophene-2-carboxylicacid, 3,6-dichloro- supplier

Name
3,6-DICHLORO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID
EINECS
CAS No. 34576-94-8
Density 1.653 g/cm³
Solubility
Melting Point
Formula C₉H₄Cl₂O₂S
Boiling Point 426.4 °C at 760 mmHg
Molecular Weight 247.0979
Flash Point 211.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,6-Dichloro-benzo[b]thiophene-2-carboxylic acid;
PSA 65.54000
LogP 3.90630

Benzo[b]thiophene-2-carboxylicacid, 3,6-dichloro- Specification

The Benzo[b]thiophene-2-carboxylicacid, 3,6-dichloro-, with the CAS registry number 34576-94-8, is also known as 3,6-Dichloro-benzo[b]thiophene-2-carboxylic acid. This chemical's molecular formula is C₉H₄Cl₂O₂S and molecular weight is 247.0979. What's more, its systematic name is called 3,6-Dichloro-1-benzothiophene-2-carboxylic acid.

Physical properties about Benzo[b]thiophene-2-carboxylicacid, 3,6-dichloro- are: (1)ACD/LogP: 4.72; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.76; (4)ACD/LogD (pH 7.4): 1.57; (5)ACD/BCF (pH 5.5): 2.51; (6)ACD/BCF (pH 7.4): 1.63; (7)ACD/KOC (pH 5.5): 9.69; (8)ACD/KOC (pH 7.4): 6.29; (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: 1.722; (14)Molar Refractivity: 59.19 cm³; (15)Molar Volume: 149.4 cm³; (16)Polarizability: 23.46×10^-24cm³; (17)Surface Tension: 67.3 dyne/cm; (18)Density: 1.653 g/cm³; (19)Flash Point: 211.7 °C; (20)Enthalpy of Vaporization: 71.82 kJ/mol; (21)Boiling Point: 426.4 °C at 760 mmHg; (22)Vapour Pressure: 4.95E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc2ccc1c(sc(c1Cl)C(=O)O)c2
(2) InChI: InChI=1/C9H4Cl2O2S/c10-4-1-2-5-6(3-4)14-8(7(5)11)9(12)13/h1-3H,(H,12,13)
(3) InChIKey: AAHPIJMQJAZYTM-UHFFFAOYAV

Product Name

3,6-DICHLORO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID

Benzo[b]thiophene-2-carboxylicacid, 3,6-dichloro- Specification

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