Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzo[b]thiophene-2-carboxylicacid, 5-fluoro-, methyl ester |
EINECS | N/A |
CAS No. | 154630-32-7 | Density | 1.355 g/cm3 |
PSA | 54.54000 | LogP | 2.82700 |
Solubility | N/A | Melting Point |
80-82 °C |
Formula | C10H7FO2S | Boiling Point | 308.344 °C at 760 mmHg |
Molecular Weight | 210.229 | Flash Point | 140.281 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes |
Xi:; |
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Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
5-Fluorobenzothiophene-2-carboxylicacid methyl ester;Methyl 5-fluoro-1-benzothiophene-2-carboxylate; |
Article Data | 7 |
The Benzo[b]thiophene-2-carboxylicacid, 5-fluoro-, methyl ester, with the CAS registry number 154630-32-7, is also known as 5-Fluorobenzothiophene-2-carboxylicacid methyl ester. This chemical's molecular formula is C10H7FO2S and molecular weight is 210.22. What's more, its systematic name is methyl 5-fluoro-1-benzothiophene-2-carboxylate.
Physical properties of Benzo[b]thiophene-2-carboxylicacid, 5-fluoro-, methyl ester are: (1)ACD/LogP: 2.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 1322; (6)ACD/BCF (pH 7.4): 1322; (7)ACD/KOC (pH 5.5): 5966; (8)ACD/KOC (pH 7.4): 5966; (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: 1.617; (14)Molar Refractivity: 54.247 cm3; (15)Molar Volume: 155.131 cm3; (16)Polarizability: 21.505×10-24cm3; (17)Surface Tension: 47.026 dyne/cm; (18)Density: 1.355 g/cm3; (19)Flash Point: 140.281 °C; (20)Enthalpy of Vaporization: 54.901 kJ/mol; (21)Boiling Point: 308.344 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c1cc2cc(F)ccc2s1
(2)InChI: InChI=1S/C10H7FO2S/c1-13-10(12)9-5-6-4-7(11)2-3-8(6)14-9/h2-5H,1H3
(3)InChIKey: KMBHCZSECUMYRF-UHFFFAOYSA-N