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CAS No.: | 41429-22-5 |
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Name: | 2-(Difluoromethoxy)phenylacetonitrile |
Molecular Structure: | |
Formula: | C9H7F2NO |
Molecular Weight: | 183.15 |
Synonyms: | 2-(DIFLUOROMETHOXY)PHENYLACETONITRILE;2-(Difluoromethoxy)phenylacetonitrile 98%;2-(Difluoromethoxy)phenylacetonitrile98%;2-(DifluoroMethoxy)benzyl cyanide;2-(Cyanomethyl)-alpha,alpha-difluoroanisole;2-(2-(DifluoroMethoxy)phenyl)acetonitrile |
Density: | 1.213 g/cm3 |
Melting Point: | 225°C |
Boiling Point: | 248.7 °C at 760 mmHg |
Flash Point: | 104.2 °C |
Hazard Symbols: | T |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 33.02000 |
LogP: | 2.35408 |
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The Benzeneacetonitrile,2-(difluoromethoxy)- is an organic compound with the formula C9H7F2NO. The IUPAC name of this chemical is 2-[2-(difluoromethoxy)phenyl]acetonitrile. With the CAS registry number 41429-22-5, it is also named as [2-(Difluoromethoxy)phenyl]acetonitrile. Besides, it should be stored in a closed cool and dry place.
Physical properties about Benzeneacetonitrile,2-(difluoromethoxy)- are: (1)ACD/LogP: 1.54; (2)ACD/LogD (pH 5.5): 1.54; (3)ACD/LogD (pH 7.4): 1.54; (4)ACD/BCF (pH 5.5): 8.78; (5)ACD/BCF (pH 7.4): 8.78; (6)ACD/KOC (pH 5.5): 164.79; (7)ACD/KOC (pH 7.4): 164.79; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 33.02 Å2; (11)Index of Refraction: 1.477; (12)Molar Refractivity: 42.68 cm3; (13)Molar Volume: 150.9 cm3; (14)Polarizability: 16.91×10-24cm3; (15)Surface Tension: 34.3 dyne/cm; (16)Density: 1.213 g/cm3; (17)Flash Point: 104.2 °C; (18)Enthalpy of Vaporization: 48.59 kJ/mol; (19)Boiling Point: 248.7 °C at 760 mmHg; (20)Vapour Pressure: 0.0239 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)Oc1ccccc1CC#N
(2)InChI: InChI=1/C9H7F2NO/c10-9(11)13-8-4-2-1-3-7(8)5-6-12/h1-4,9H,5H2
(3)InChIKey: KAVMQGLPFAEOLH-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C9H7F2NO/c10-9(11)13-8-4-2-1-3-7(8)5-6-12/h1-4,9H,5H2
(5)Std. InChIKey: KAVMQGLPFAEOLH-UHFFFAOYSA-N