Benzo[b]thiophene-2-carboxylicacid, 5-chloro-, methyl ester supplier

Name
METHYL 5-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLATE
EINECS
CAS No. 35212-96-5
Article Data10
CAS DataBase
Density 1.391 g/cm³
Solubility
Melting Point 113-115
Formula C₁₀H₇ClO₂S
Boiling Point 338.7 °C at 760 mmHg
Molecular Weight 226.683
Flash Point 158.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 5-Chloro-benzo[b]thiophene-2-carboxylicacid methyl ester;
PSA 54.54000
LogP 3.34130

Benzo[b]thiophene-2-carboxylicacid, 5-chloro-, methyl ester Specification

This chemical is called Benzo[b]thiophene-2-carboxylicacid, 5-chloro-, methyl ester, and its CAS registry number is 35212-96-5. With the molecular formula of C₁₀H₇ClO₂S, its molecular weight is 226.68.

Other characteristics of the Benzo[b]thiophene-2-carboxylicacid, 5-chloro-, methyl ester can be summarised as followings: (1)ACD/LogP: 4.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.88; (4)ACD/LogD (pH 7.4): 4.88; (5)ACD/BCF (pH 5.5): 2999.7; (6)ACD/BCF (pH 7.4): 2999.7; (7)ACD/KOC (pH 5.5): 10727.22; (8)ACD/KOC (pH 7.4): 10727.22; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 54.54 Å²; (13)Index of Refraction: 1.646; (14)Molar Refractivity: 59.14 cm³; (15)Molar Volume: 162.8 cm³; (16)Polarizability: 23.44×10^-24cm³; (17)Surface Tension: 50.8 dyne/cm; (18)Density: 1.391 g/cm³; (19)Flash Point: 158.6 °C; (20)Enthalpy of Vaporization: 58.21 kJ/mol; (21)Boiling Point: 338.7 °C at 760 mmHg; (22)Vapour Pressure: 9.66E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: COC(=O)c1cc2cc(Cl)ccc2s1
2.InChI: InChI=1/C10H7ClO2S/c1-13-10(12)9-5-6-4-7(11)2-3-8(6)14-9/h2-5H,1H3
3.InChIKey: FEUIEMHKEHSOCU-UHFFFAOYAQ

Product Name

METHYL 5-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLATE

Benzo[b]thiophene-2-carboxylicacid, 5-chloro-, methyl ester Specification

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