Ethyl-2-amino-benzo(b)thiophene-3-carboxylate supplier

Name
Ethyl-2-amino-benzo(b)thiophene-3-carboxylate
EINECS
CAS No. 7311-95-7
Article Data10
CAS DataBase
Density 1.303 g/cm³
Solubility
Melting Point 107-108 °C
Formula C₁₁H₁₁NO₂S
Boiling Point 373.4 °C at 760 mmHg
Molecular Weight 221.28
Flash Point 179.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzo[b]thiophene-3-carboxylic acid, 2-amino-, ethyl ester;
PSA 80.56000
LogP 3.24140

Ethyl-2-amino-benzo(b)thiophene-3-carboxylate Specification

The Ethyl-2-amino-benzo(b)thiophene-3-carboxylate, with the CAS registry number 7311-95-7, is also known as Benzo[b]thiophene-3-carboxylic acid, 2-amino-, ethyl ester. This chemical's molecular formula is C₁₁H₁₁NO₂S and molecular weight is 221.28. What's more, its IUPAC name is Ethyl 2-amino-1-benzothiophene-3-carboxylate.

Physical properties about Ethyl-2-amino-benzo(b)thiophene-3-carboxylate are: (1)ACD/LogP: 4.13; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 57.78 Å²; (7)Index of Refraction: 1.666; (8)Molar Refractivity: 63.12 cm³; (9)Molar Volume: 169.7 cm³; (10)Polarizability: 25.02×10^-24 cm³; (11)Surface Tension: 56.2 dyne/cm; (12)Density: 1.303 g/cm³; (13)Flash Point: 179.6 °C; (14)Enthalpy of Vaporization: 62.06 kJ/mol; (15)Boiling Point: 373.4 °C at 760 mmHg; (16)Vapour Pressure: 9.02E-06 mmHg at 25 °C.

Uses of Ethyl-2-amino-benzo(b)thiophene-3-carboxylate: it is used to produce other chemicals. For example, it is used to produce 2-Isothiocyanato-benzo[b]thiophene-3-carboxylic acid ethyl ester. The reaction needs reagent CaCO₃. Meanwhile, it needs solvents CH₂Cl₂ and H₂O. The reaction time is 3 hours with reaction temperature of 0 °C. The yield is about 45 %.

Ethyl-2-amino-benzo(b)thiophene-3-carboxylate can react with Thiocarbonyl dichloride to get Benzo[b]thiophene-3-carboxylic acid, 2-amino-, ethyl ester.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)c1c2ccccc2sc1N
(2) InChI: InChI=1/C11H11NO2S/c1-2-14-11(13)9-7-5-3-4-6-8(7)15-10(9)12/h3-6H,2,12H2,1H3
(3) InChIKey: XNASJEQIJMDBQN-UHFFFAOYAC

Product Name

Ethyl-2-amino-benzo(b)thiophene-3-carboxylate

Ethyl-2-amino-benzo(b)thiophene-3-carboxylate Specification

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