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Cas Database |
| Name |
2-Thiopheneacetonitrile |
EINECS | 244-104-6 |
| CAS No. | 20893-30-5 | Density | 1.171 g/cm3 |
| PSA | 52.03000 | LogP | 1.81418 |
| Solubility | N/A | Melting Point |
-5oC |
| Formula | C6H5NS | Boiling Point | 224.3 °C at 760 mmHg |
| Molecular Weight | 123.178 | Flash Point | 101.7 °C |
| Transport Information | UN 3276 6.1/PG 3 | Appearance | clear colourless to slightly brown liquid |
| Safety | 26-36/37-23-36 | Risk Codes | 20/21/22-36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xn,  Xi,  T
|
| Synonyms |
2-(Cyanomethyl)thiophene;2-(Thien-2-yl)acetonitrile;2-Thienylacetonitrile;[Thiophen-2-yl]acetonitrile; |
Article Data | 29 |
2-Thiopheneacetonitrile Chemical Properties
2-Thiopheneacetonitrile (20893-30-5) is called for AIDS-018439 ; CID72880 ; EINECS 244-104-6 ; ZINC00388254 ; Thiophene-2-acetonitrile ; Thien-2-ylacetonitrile ; 2-Cyanomethylthiophene ; 2-Thienylacetonitrile ; Thiophen-2-acetonitrile ; 2-Thiopheneacetonitrile, tech., 94% ; 2-(2-Thienyl)acetonitrile ,and so on. 2-Thiopheneacetonitrile (20893-30-5) is clear colourless to slightly brown liquid.
IUPAC Name: 2-thiophen-2-ylacetonitrile
CAS: 20893-30-5
Molecular Formula: C6H5NS
Molecular Weight: 123.18
Molecular structure: 
EINECS: 244-104-6
BRN: 106960
ACD/LogD (pH 5.5): 1.13
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 5.5): 4.23
ACD/BCF (pH 7.4): 4.23
ACD/KOC (pH 5.5): 97.74
ACD/KOC (pH 7.4): 97.74
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 1
Index of Refraction: 1.562
Molar Refractivity: 34.09 cm3
Molar Volume: 105.1 cm3
Polarizability: 13.51 10-24cm3
Surface Tension: 47 dyne/cm
Density: 1.171 g/cm3
Flash Point: 101.7 °C
Enthalpy of Vaporization: 46.08 kJ/mol
Boiling Point: 224.3 °C at 760 mmHg
Vapour Pressure: 0.0921 mmHg at 25°C
2-Thiopheneacetonitrile Uses
2-Thiopheneacetonitrile (20893-30-5) is commonly used as pharmaceutical intermediate.
2-Thiopheneacetonitrile Safety Profile
Hazard Codes: Xn,Xi,T 
Risk Statements: 20/21/22-36/37/38 (20/21/22: Harmful by inhalation, in contact with skin and if swallowed 36/37/38: Irritating to eyes, respiratory system and skin)
Safety Statements: 26-36/37-23-36 (26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 36/37: Wear suitable protective clothing and gloves 23: Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) 36: Wear suitable protective clothing)
RIDADR: UN 3276 6.1/PG 3
WGK Germany: 3
Hazard Note: Irritant
TSCA: T
HazardClass: 6.1
PackingGroup: III
HS Code: 29349990
2-Thiopheneacetonitrile Specification
Removal in wastewater treatment of 2-Thiopheneacetonitrile (20893-30-5) can be stated as follows:
Total removal:1.99 percent
Total biodegradation:0.09 percent
Total sludge adsorption:1.83 percent
Total to Air:0.08 percent
(using 10000 hr Bio P,A,S)
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