Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

2-Triflnoromethoxybenzyl cyanide

Related Products

Hot Products

Name

2-Triflnoromethoxybenzyl cyanide

EINECS -0
CAS No. 137218-25-8 Density 1.289 g/cm3
PSA 33.02000 LogP 2.65128
Solubility N/A Melting Point N/A
Formula C9H6F3NO Boiling Point 212.288 °C at 760 mmHg
Molecular Weight 201.148 Flash Point 82.189 °C
Transport Information UN 3276 Appearance colorless liquid
Safety 26-36/37/39 Risk Codes 22-23/24
Molecular Structure Molecular Structure of 137218-25-8 (2-Triflnoromethoxybenzyl cyanide) Hazard Symbols ToxicT
Synonyms

2-Trifluoromethoxyphenylacetonitrile;2-(Trifluoromethoxy)phenylacetonitrile;2-[2-(trifluoromethoxy)phenyl]acetonitrile;2-(Trifluoromethoxy)benzeneacetonitrile;

Article Data 2

2-Triflnoromethoxybenzyl cyanide Specification

The IUPAC name of 2-Triflnoromethoxybenzyl cyanide is 2-[2-(trifluoromethoxy)phenyl]acetonitrile. With the CAS registry number 137218-25-8, it is also named as Benzeneacetonitrile,2-(trifluoromethoxy)-. The product's categories are aromatic nitriles, nitrile, C8 to C9, cyanides / nitriles and nitrogen compounds. In addition, its molecular formula is C9H6F3NO and its molecular weight is 201.14. It is colorless liquid, which should be stored in cool and dry place. Besides, you should keep the container sealed and ensure that the workplaces have good ventilation or exhaust.

The other characteristics of 2-Triflnoromethoxybenzyl cyanide can be summarized as: (1)ACD/LogP: 2.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.4; (4)ACD/LogD (pH 7.4): 2.4; (5)ACD/BCF (pH 5.5): 39.25; (6)ACD/BCF (pH 7.4): 39.25; (7)ACD/KOC (pH 5.5): 481.34; (8)ACD/KOC (pH 7.4): 481.34; (9)H bond acceptors: 2; (10)H bond donors: 0; (11)Freely Rotating Bonds: 2; (12)Polar Surface Area: 33.02 Å2; (13)Index of Refraction: 1.461; (14)Molar Refractivity: 42.85 cm3; (15)Molar Volume: 156 cm3; (16)Polarizability: 16.98×10-24cm3; (17)Surface Tension: 32.4 dyne/cm; (18)Density: 1.289 g/cm3; (19)Flash Point: 82.2 °C; (20)Enthalpy of Vaporization: 44.86 kJ/mol; (21)Boiling Point: 212.3 °C at 760 mmHg; (22)Vapour Pressure: 0.175 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: 2-Triflnoromethoxybenzyl cyanide is harmful if swallowed, it is also toxic by inhalation and in contact with skin. Please wear suitable protective clothing, gloves and eye / face protection. Moreover, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES:FC(F)(F)Oc1ccccc1CC#N
(2)InChI:InChI=1/C9H6F3NO/c10-9(11,12)14-8-4-2-1-3-7(8)5-6-13/h1-4H,5H2
(3)InChIKey:OIKWCWVMUBCXJM-UHFFFAOYAX
(4)Std. InChI:InChI=1S/C9H6F3NO/c10-9(11,12)14-8-4-2-1-3-7(8)5-6-13/h1-4H,5H2
(5)Std. InChIKey:OIKWCWVMUBCXJM-UHFFFAOYSA-N

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 137218-25-8