Methyl 5-bromo-1-benzothiophene-2-carboxylate supplier

Name
Methyl 5-bromo-1-benzothiophene-2-carboxylate
EINECS
CAS No. 7312-11-0
Article Data13
CAS DataBase
Density 1.622 g/cm³
Solubility
Melting Point 110 °C
Formula C₁₀H₇BrO₂S
Boiling Point 358.9 °C at 760 mmHg
Molecular Weight 271.134
Flash Point 170.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms benzo[b]thiophene-2-carboxylic acid, 5-bromo-, methyl ester;
PSA 54.54000
LogP 3.45040

Methyl 5-bromo-1-benzothiophene-2-carboxylate Specification

The Methyl 5-bromo-1-benzothiophene-2-carboxylate with cas number 7312-11-0 is also called benzo[b]thiophene-2-carboxylic acid, 5-bromo-, methyl ester. Its molecular formula is C₁₀H₇BrO₂S. This chemical is irritant. While using this chemical, you should be very cautious.

The properties of the chemical are: (1)ACD/LogP: 5.13; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 54.54Å²; (7)Index of Refraction: 1.663; (8)Molar Refractivity: 61.94 cm³; (9)Molar Volume: 167.1 cm³; (10)Polarizability: 24.55×10^-24cm³; (11)Surface Tension: 52.4 dyne/cm; (12)Enthalpy of Vaporization: 60.44 kJ/mol; (13)Vapour Pressure: 2.4×10^-5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2cc1c(sc(c1)C(=O)OC)cc2
(2)InChI: InChI=1/C10H7BrO2S/c1-13-10(12)9-5-6-4-7(11)2-3-8(6)14-9/h2-5H,1H3
(3)InChIKey: XDYVZHUZZZKQOS-UHFFFAOYAX

Product Name

Methyl 5-bromo-1-benzothiophene-2-carboxylate

Methyl 5-bromo-1-benzothiophene-2-carboxylate Specification

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