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Thiophene, Reagent

Catalog Number
ACM110021-1
CAS Number
110-02-1
Product Name
Thiophene, Reagent
Structure
Category
Electroluminescence Materials
Description
Thiophene appears as a colorless liquid with an unpleasant odor. Insoluble in water and slightly denser than water. Flash point 30°F. Vapors heavier than air. Irritates the skin, eyes, and mucous membranes. Used to make pharmaceuticals and dyes.;Liquid;COLOURLESS LIQUID WITH PUNGENT ODOUR.
IUPAC Name
thiophene
Molecular Weight
84.14g/mol
Molecular Formula
C4H4S;SCH=CHCH=CH;C4H4S
Canonical SMILES
C1=CSC=C1
InChI
InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H
InChI Key
YTPLMLYBLZKORZ-UHFFFAOYSA-N
Boiling Point
183.9 °F at 760 mm Hg (NTP, 1992);84.0 °C;84.0 °C @ 760 MM HG;84 °C
Melting Point
-36.8 °F (NTP, 1992);-39.4 °C;Mp -38.3 °;-39.4 °C;-38.3°C;-38 °C
Flash Point
30 °F (NTP, 1992);30 °F (-1 °C) (CLOSED CUP);-1 °C
Density
1.0649 at 68 °F (NTP, 1992);d204 1.06;1.06494 @ 20 °C/4 °C;Relative density (water = 1): 1.06
Solubility
less than 1 mg/mL at 75° F (NTP, 1992);0.04 M;3.01 mg/mL at 25 °C;MISCIBLE IN ETHANOL, ETHER, ACETONE, AND BENZENE.;SOL IN ALL PROPORTIONS IN ORDINARY ORG SOLVENTS, CARBON TETRACHLORIDE, DIOXANE, PYRIMIDINE, TOLUENE;water solubility = 3,020 mg/l @ 25 °C;3.01 mg/mL at 25 °C;Solubility in water: none
Color/Form
COLORLESS LIQUID
Complexity
22.8
Covalently-Bonded Unit Count
1
EC Number
203-729-4
Exact Mass
84.003371g/mol
Formal Charge
0
Heat of Vaporization
32.483 kJ/mol
Heavy Atom Count
5
ICSC Number
1190
Log P
1.81 (LogP);1.81;log Kow = 1.81;1.81;1.81
MeSH Entry Terms
polythiophene
Monoisotopic Mass
84.003371g/mol
NSC Number
405073
Odor
SLIGHT AROMATIC ODOR RESEMBLING BENZENE
Other Experimental
CYCLIC ORGANOSULFUR; HIGHLY REACTIVE;MAY BE HEATED TO 850 °C WITHOUT DECOMP;hydroxyl radical rate constant = 9.53X10-12 cu m/molc-sec @ 25 °C
Refractive Index
n20D 1.5246;INDEX OF REFRACTION: 1.52684 @ 25 °C/D
Rotatable Bond Count
0
RTECS Number
XM7350000
UNII
SMB37IQ40B
UN Number
2414;2414;2414;2414
Vapor Density
2.9 (NTP, 1992) (Relative to Air);2.9 (AIR= 1);Relative vapor density (air = 1): 2.9
Vapor Pressure
20 mm Hg at 32 °F ; 60 mm Hg at 68.2° F; 760 mm Hg at 183.9° F (NTP, 1992);79.67 mmHg;79.7 mm Hg @ 25 °C;Vapor pressure, kPa at 12.5 °C: 5.3
Viscosity
0.621 mPa.s
XLogP3
1.8
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