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Cas Database |
| Name |
Methyl 5-bromo-1-benzothiophene-2-carboxylate |
EINECS | N/A |
| CAS No. | 7312-11-0 | Density | 1.622 g/cm3 |
| PSA | 54.54000 | LogP | 3.45040 |
| Solubility | N/A | 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 | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
benzo[b]thiophene-2-carboxylic acid, 5-bromo-, methyl ester; |
Article Data | 13 |
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
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