-
Name
2-Thiophenecarboxylic acid, 4-bromo-3-fluoro-, methyl ester
- EINECS 200-589-5
- CAS No. 395664-56-9
- Article Data4
- CAS DataBase
- Density 1.742 g/cm3
- Solubility
- Melting Point
- Formula C6H4BrFO2S
- Boiling Point 267.1 °C at 760 mmHg
- Molecular Weight 239.0621632
- Flash Point 115.3 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 4-Bromo-3-fluoro-2-thiophenecarboxylic acid methyl ester;Methyl 4-bromo-3-fluoro-2-thiophenecarboxylate;
- PSA 54.54000
- LogP 2.43630
2-Thiophenecarboxylicacid, 4-bromo-3-fluoro-, methyl ester Specification
The CAS register number of 2-Thiophenecarboxylicacid, 4-bromo-3-fluoro-, methyl ester is 395664-56-9. It also can be called as 4-Bromo-3-fluoro-2-thiophenecarboxylic acid methyl ester and the systematic name about this chemical is Methyl 4-bromo-3-fluorothiophene-2-carboxylate. The molecular formula about this chemical is C6H4BrFO2S and the molecular weight is 239.0621632.
Physical properties about 2-Thiophenecarboxylicacid, 4-bromo-3-fluoro-, methyl ester are: (1)ACD/LogP: 2.10; (2)ACD/LogD (pH 5.5): 2.1; (3)ACD/LogD (pH 7.4): 2.1; (4)ACD/BCF (pH 5.5): 23.09; (5)ACD/BCF (pH 7.4): 23.09; (6)ACD/KOC (pH 5.5): 329.32; (7)ACD/KOC (pH 7.4): 329.32; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 54.54Å2; (11)Index of Refraction: 1.555; (12)Molar Refractivity: 44.09 cm3; (13)Molar Volume: 137.2 cm3; (14)Polarizability: 17.48x10-24cm3; (15)Surface Tension: 43.7 dyne/cm; (16)Flash Point: 115.3 °C; (17)Enthalpy of Vaporization: 50.51 kJ/mol; (18)Boiling Point: 267.1 °C at 760 mmHg; (19)Vapour Pressure: 0.00831 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c1c(c(cs1)Br)F
(2)InChI: InChI=1/C6H4BrFO2S/c1-10-6(9)5-4(8)3(7)2-11-5/h2H,1H3
(3)InChIKey: WOIOEHSFRAGWFF-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C6H4BrFO2S/c1-10-6(9)5-4(8)3(7)2-11-5/h2H,1H3
(5)Std. InChIKey: WOIOEHSFRAGWFF-UHFFFAOYSA-N
Related Products
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- 2-Thiophenecarboxylicacid, 3-amino-4-cyano-5-(methylthio)-, ethyl ester
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- 2-Thiophenecarboxylicacid, 3-amino-5-(4-chlorophenyl)-, ethyl ester
- 2-Thiophenecarboxylicacid, 3-amino-5-(4-fluorophenyl)-, methyl ester
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