Basic Information | Post buying leads | Suppliers |
Name |
5-Fluoro-2-(trifluoromethyl)benzonitrile |
EINECS | N/A |
CAS No. | 240800-45-7 | Density | 1.37 g/cm3 |
PSA | 23.79000 | LogP | 2.71618 |
Solubility | N/A | Melting Point |
150-155?°C(lit.) |
Formula | C8H3F4N | Boiling Point | 196.4 °C at 760 mmHg |
Molecular Weight | 189.112 | Flash Point | 88.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 20/21/22-36/37/38 |
Molecular Structure | Hazard Symbols | T,Xi,Xn | |
Synonyms |
5-Fluoro-2-trifluoromethylbenzonitrile; |
The Benzonitrile,5-fluoro-2-(trifluoromethyl)-, with the CAS registry number 240800-45-7, is also known as 2-Cyano-4-fluorobenzotrifluoride. It belongs to the product category of Aromatic Nitriles. This chemical's molecular formula is C8H3F4N and molecular weight is 189.109733. Its IUPAC name is called 5-fluoro-2-(trifluoromethyl)benzonitrile. This chemical should be stored in dry and cool place.
Physical properties of Benzonitrile,5-fluoro-2-(trifluoromethyl)-: (1)ACD/LogP: 2.55; (2)ACD/LogD (pH 5.5): 2.55; (3)ACD/LogD (pH 7.4): 2.55; (4)ACD/BCF (pH 5.5): 51.21; (5)ACD/BCF (pH 7.4): 51.21; (6)ACD/KOC (pH 5.5): 582.31; (7)ACD/KOC (pH 7.4): 582.31; (8)#H bond acceptors: 1; (9)Index of Refraction: 1.443; (10)Molar Refractivity: 36.42 cm3; (11)Molar Volume: 137.1 cm3; (12)Surface Tension: 30.4 dyne/cm; (13)Density: 1.37 g/cm3; (14)Flash Point: 88.9 °C; (15)Enthalpy of Vaporization: 43.26 kJ/mol; (16)Boiling Point: 196.4 °C at 760 mmHg; (17)Vapour Pressure: 0.399 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical that at low levels can cause damage to health. It may cause inflammation to the skin or other mucous membranes. Besides, it may cause damage to health. This chemical is harmful by inhalation, in contact with skin and if swallowed. 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(=C(C=C1F)C#N)C(F)(F)F
(2)InChI: InChI=1S/C8H3F4N/c9-6-1-2-7(8(10,11)12)5(3-6)4-13/h1-3H
(3)InChIKey: SQAZPEKSXOYPDX-UHFFFAOYSA-N