CAS No.239087-10-6,2-FLUORO-3-(TRIFLUOROMETHYL)PHENYLACETONITRILE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	239087-10-6
Name:	2-FLUORO-3-(TRIFLUOROMETHYL)PHENYLACETONITRILE

Formula:	C₉H₅F₄N
Molecular Weight:	203.14
Synonyms:	(2-Fluoro-3-trifluoromethylphenyl)acetonitrile;
Density:	1.34 g/cm³
Boiling Point:	221.5 °C at 760 mmHg
Flash Point:	109 °C
Hazard Symbols:	T
Risk Codes:	23/24/25-36/37/38
Safety:	22-26-36-45
Transport Information:	UN 2810
PSA:	23.79000
LogP:	2.91058

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Specification

The 2-Fluoro-3-(trifluoromethyl)phenylacetonitrile, with the CAS registry number 239087-10-6, is also known as 2-Fluoro-3-trifluoromethylbenzyl cyanide. It belongs to the product categories of C8 to C9; Cyanides/Nitriles; Nitrogen Compounds. This chemical's molecular formula is C₉H₅F₄N and formula weight is 203.14. What's more, its IUPAC name is called 2-[2-fluoro-3-(trifluoromethyl)phenyl]acetonitrile.

Physical properties of 2-Fluoro-3-(trifluoromethyl)phenylacetonitrile: (1)ACD/LogP: 2.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.1; (4)ACD/LogD (pH 7.4): 2.1; (5)ACD/BCF (pH 5.5): 23.04; (6)ACD/BCF (pH 7.4): 23.04; (7)ACD/KOC (pH 5.5): 328.81; (8)ACD/KOC (pH 7.4): 328.81; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.443; (13)Molar Refractivity: 40.68 cm³; (14)Molar Volume: 153.3 cm³; (15)Surface Tension: 29.2 dyne/cm; (16)Density: 1.324 g/cm³; (17)Flash Point: 109 °C; (18)Enthalpy of Vaporization: 45.79 kJ/mol; (19)Boiling Point: 221.5 °C at 760 mmHg; (20)Vapour Pressure: 0.107 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical that at low levels may cause damage to health. It is toxic by inhalation, in contact with skin and if swallowed. In addition, it is irritating to eyes, respiratory system and skin. You should not breathe its dust. 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. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C(=C1)C(F)(F)F)F)CC#N
(2)InChI: InChI=1S/C9H5F4N/c10-8-6(4-5-14)2-1-3-7(8)9(11,12)13/h1-3H,4H2
(3)InChIKey: VUUVDTMSSVKPDJ-UHFFFAOYSA-N