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Acetonitrile,2-[(4-fluorophenyl)thio]-

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Name

Acetonitrile,2-[(4-fluorophenyl)thio]-

EINECS N/A
CAS No. 18527-21-4 Density 1.23 g/cm3
PSA 49.09000 LogP 2.44138
Solubility N/A Melting Point 32 °C
Formula C8H6FNS Boiling Point 265.2 °C at 760 mmHg
Molecular Weight 167.2 Flash Point 114.2 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 18527-21-4 ((4-FLUOROPHENYLTHIO)ACETONITRILE) Hazard Symbols ToxicT
Synonyms

Acetonitrile,[(4-fluorophenyl)thio]- (9CI);Acetonitrile, [(p-fluorophenyl)thio]- (8CI);(4-Fluorophenylthio)acetonitrile;

Article Data 4

Acetonitrile,2-[(4-fluorophenyl)thio]- Specification

The Acetonitrile,2-[(4-fluorophenyl)thio]-, with the CAS registry number 18527-21-4, is also known as 2-(4-Fluorophenylthio)acetonitrile 97%. This chemical's molecular formula is C8H6FNS and molecular weight is 167.203343. Its IUPAC name is called 2-(4-fluorophenyl)sulfanylacetonitrile.

Physical properties of Acetonitrile,2-[(4-fluorophenyl)thio]-: (1)ACD/LogP: 1.59; (2)ACD/LogD (pH 5.5): 1.59; (3)ACD/LogD (pH 7.4): 1.59; (4)ACD/BCF (pH 5.5): 9.46; (5)ACD/BCF (pH 7.4): 9.46; (6)ACD/KOC (pH 5.5): 173.85; (7)ACD/KOC (pH 7.4): 173.85; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.563; (11)Molar Refractivity: 44.07 cm3; (12)Molar Volume: 135.6 cm3; (13)Surface Tension: 45.8 dyne/cm; (14)Density: 1.23 g/cm3; (15)Flash Point: 114.2 °C; (16)Enthalpy of Vaporization: 50.31 kJ/mol; (17)Boiling Point: 265.2 °C at 760 mmHg; (18)Vapour Pressure: 0.00931 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical that at low level can cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. In addition, it is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1F)SCC#N
(2)InChI: InChI=1S/C8H6FNS/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4H,6H2
(3)InChIKey: BJFLSPRQCMQITC-UHFFFAOYSA-N

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