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CAS No.: | 103962-10-3 |
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Name: | 4-(TRIFLUOROMETHOXY)PHENACYL BROMIDE |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C9H6BrF3O2 |
Molecular Weight: | 283.045 |
Synonyms: | 2-Bromo-1-(4-trifluoromethoxyphenyl)ethanone;2-Bromo-1-[4-(trifluoromethoxy)phenyl]ethan-1-one;4-(Trifluoromethoxy)phenacyl bromide; |
Density: | 1.621 g/cm3 |
Melting Point: | 55 °C |
Boiling Point: | 266 °C at 760 mmHg |
Flash Point: | 114.7 °C |
Appearance: | solid |
Hazard Symbols: | Xi, C |
Risk Codes: | 34-36/37/38-36 |
Safety: | 26-36/37/39 |
Transport Information: | UN 1759 |
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The Ethanone,2-bromo-1-[4-(trifluoromethoxy)phenyl]- is an organic compound with the formula C9H6BrF3O2. The systematic name of this chemical is 2-bromo-1-[4-(trifluoromethoxy)phenyl]ethanone. With the CAS registry number 103962-10-3, it is also named as 4-(Trifluoromethoxy)phenacyl bromide. This chemical is solid which is stable under normal temperature and pressure. Additionally, it should be sealed in the container and stored in the cool and dry place with the temperature of 2-8 °C.
The other characteristics of Ethanone,2-bromo-1-[4-(trifluoromethoxy)phenyl]- can be summarized as: (1)ACD/LogP: 3.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.3; (4)ACD/LogD (pH 7.4): 3.3; (5)ACD/BCF (pH 5.5): 189.87; (6)ACD/BCF (pH 7.4): 189.87; (7)ACD/KOC (pH 5.5): 1487.76; (8)ACD/KOC (pH 7.4): 1487.76; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.497; (14)Molar Refractivity: 51.14 cm3; (15)Molar Volume: 174.5 cm3; (16)Polarizability: 20.27×10-24 cm3; (17)Surface Tension: 35.1 dyne/cm; (18)Density: 1.621 g/cm3; (19)Flash Point: 114.7 °C; (20)Enthalpy of Vaporization: 50.39 kJ/mol; (21)Boiling Point: 266 °C at 760 mmHg; (22)Vapour Pressure: 0.00888 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It can cause burns. It is also irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
1. SMILES:FC(F)(F)Oc1ccc(cc1)C(=O)CBr
2. InChI:InChI=1/C9H6BrF3O2/c10-5-8(14)6-1-3-7(4-2-6)15-9(11,12)13/h1-4H,5H2
3. InChIKey:AOAGGWLQIILIIV-UHFFFAOYAM