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4-(Trifluoromethoxy)benzamide

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Name

4-(Trifluoromethoxy)benzamide

EINECS N/A
CAS No. 456-71-3 Density 1.381 g/cm3
PSA 52.32000 LogP 2.38440
Solubility N/A Melting Point 155-156 °C
Formula C8H6F3NO2 Boiling Point 247.2 °C at 760 mmHg
Molecular Weight 205.136 Flash Point 103.3 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 456-71-3 (4-(TRIFLUOROMETHOXY)BENZAMIDE) Hazard Symbols IrritantXi
Synonyms

p-Anisamide,a,a,a-trifluoro- (6CI,8CI);

Article Data 26

4-(Trifluoromethoxy)benzamide Specification

This chemical is called Benzamide, 4-(trifluoromethoxy)-, and its systematic name is 4-(trifluoromethoxy)benzamide. With the molecular formula of C8H6F3NO2, its molecular weight is 205.13. The CAS registry number of this chemical is 456-71-3. Additionally, this chemical should be sealed in the dry and ventilated place, away from the oxides.

Other characteristics of the Benzamide, 4-(trifluoromethoxy)- can be summarised as followings: (1)ACD/LogP: 1.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.85; (4)ACD/LogD (pH 7.4): 1.85; (5)ACD/BCF (pH 5.5): 14.99; (6)ACD/BCF (pH 7.4): 14.99; (7)ACD/KOC (pH 5.5): 241.68; (8)ACD/KOC (pH 7.4): 241.68; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.481; (14)Molar Refractivity: 42.31 cm3; (15)Molar Volume: 148.5 cm3; (16)Polarizability: 16.77×10-24cm3; (17)Surface Tension: 35.2 dyne/cm; (18)Density: 1.381 g/cm3; (19)Flash Point: 103.3 °C; (20)Enthalpy of Vaporization: 48.44 kJ/mol; (21)Boiling Point: 247.2 °C at 760 mmHg; (22)Vapour Pressure: 0.026 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. 

You can still convert the following datas into molecular structure:
1.SMILES: FC(F)(F)Oc1ccc(cc1)C(=O)N
2.InChI: InChI=1/C8H6F3NO2/c9-8(10,11)14-6-3-1-5(2-4-6)7(12)13/h1-4H,(H2,12,13)
3.InChIKey: IDIXWLCRJFBQJA-UHFFFAOYAT

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