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

Name
(4-FLUOROPHENYLTHIO)ACETONITRILE
EINECS
CAS No. 18527-21-4
Article Data4
CAS DataBase
Density 1.23 g/cm³
Solubility
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
Appearance
Safety 26-36/37/39
Risk Codes 20/21/22-36/37/38
Molecular Structure
Hazard Symbols T
Synonyms Acetonitrile,[(4-fluorophenyl)thio]- (9CI);Acetonitrile, [(p-fluorophenyl)thio]- (8CI);(4-Fluorophenylthio)acetonitrile;
PSA 49.09000
LogP 2.44138

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

Product Name

(4-FLUOROPHENYLTHIO)ACETONITRILE

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

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