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CAS No.: | 1455-20-5 |
---|---|
Name: | 2-N-BUTYLTHIOPHENE |
Article Data: | 29 |
Molecular Structure: | |
Formula: | C8H12S |
Molecular Weight: | 140.249 |
Synonyms: | 2-Butylthiophene; |
EINECS: | 215-935-1 |
Density: | 0.97 g/cm3 |
Melting Point: | -56.9°C (estimate) |
Boiling Point: | 181 °C at 760 mmHg |
Flash Point: | 43.1 °C |
Hazard Symbols: | Xn |
Risk Codes: | 10 |
Safety: | 16 |
PSA: | 28.24000 |
LogP: | 3.09070 |
The Thiophene, 2-butyl-, with the CAS registry number 1455-20-5, is also known as 2-n-Butylthiophene. Its EINECS registry number is 215-935-1. This chemical's molecular formula is C8H12S and molecular weight is 140.24588. Its IUPAC name is called 2-butylthiophene. When you are using this chemical, please be cautious about it. It is flammable. You should keep it away from sources of ignition - No smoking. The product should be sealed and stored in cool, dry and well-ventilated place.
Physical properties of Thiophene, 2-butyl-: (1)ACD/LogP: 3.95; (2)ACD/LogD (pH 5.5): 3.95; (3)ACD/LogD (pH 7.4): 3.95; (4)ACD/BCF (pH 5.5): 592; (5)ACD/BCF (pH 7.4): 592; (6)ACD/KOC (pH 5.5): 3357.63; (7)ACD/KOC (pH 7.4): 3357.63; (8)#Freely Rotating Bonds: 3; (9)Index of Refraction: 1.512; (10)Molar Refractivity: 43.45 cm3; (11)Molar Volume: 144.7 cm3; (12)Surface Tension: 32.8 dyne/cm; (13)Density: 0.968 g/cm3; (14)Flash Point: 43.1 °C; (15)Enthalpy of Vaporization: 40.02 kJ/mol; (16)Boiling Point: 181 °C at 760 mmHg; (17)Vapour Pressure: 1.18 mmHg at 25°C.
Preparation: this chemical can be prepared by 1-thiophen-2-yl-butan-1-ol. This reaction will need reagent chlorotrimethylsilane, NaI and solvent acetonitrile. The yield is about 80%.
Uses of Thiophene, 2-butyl-: it can be used to produce 7-(5-butyl-thiophen-2-yl)-4,4alpha,5,6,10,10alpha-hexahydro-3H-anthracen-2-one at temperature of -80 - 25 °C. This reaction will need reagent n-BuLi, TMEDA and solvent hexane, diethyl ether, hexane, tetrahydrofuran, diethyl ether with reaction time of 13 hours. The yield is about 20%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCC1=CC=CS1
(2)InChI: InChI=1S/C8H12S/c1-2-3-5-8-6-4-7-9-8/h4,6-7H,2-3,5H2,1H3
(3)InChIKey: MNDZHERKKXUTOE-UHFFFAOYSA-N