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CAS No.: | 207986-25-2 |
---|---|
Name: | ALPHA-BROMO-4-(DIETHYLAMINO)ACETOPHENONE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C12H16BrNO |
Molecular Weight: | 270.169 |
Synonyms: | 2-Bromo-1-(4-diethylaminophenyl)ethan-1-one;2-Bromo-1-[4-(diethylamino)phenyl]ethanone;2-Bromo-4'-(diethylamino)acetophenone;4'-(Diethylamino)phenacyl bromide; |
EINECS: | -0 |
Density: | 1.316 g/cm3 |
Melting Point: | 50-52 °C |
Boiling Point: | 357.7 °C at 760 mmHg |
Flash Point: | 170.1 °C |
Solubility: | It is insoluble in water. |
Appearance: | yellow powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 20.31000 |
LogP: | 3.11040 |
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The Ethanone,2-bromo-1-[4-(diethylamino)phenyl]-, with the CAS registry number 207986-25-2, is also known as 2-Bromo-1-(4-diethylaminophenyl)ethan-1-one. This chemical's molecular formula is C12H16BrNO and molecular weight is 270.17. What's more, its systematic name is 2-bromo-1-[4-(diethylamino)phenyl]ethanone. It should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from oxides.
Physical properties of Ethanone,2-bromo-1-[4-(diethylamino)phenyl]- are: (1)ACD/LogP: 3.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.69; (4)ACD/LogD (pH 7.4): 3.69; (5)ACD/BCF (pH 5.5): 372.4; (6)ACD/BCF (pH 7.4): 373.95; (7)ACD/KOC (pH 5.5): 2406.65; (8)ACD/KOC (pH 7.4): 2416.68; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.572; (14)Molar Refractivity: 67.59 cm3; (15)Molar Volume: 205.1 cm3; (16)Polarizability: 26.79×10-24cm3; (17)Surface Tension: 43.2 dyne/cm; (18)Density: 1.316 g/cm3; (19)Flash Point: 170.1 °C; (20)Enthalpy of Vaporization: 60.3 kJ/mol; (21)Boiling Point: 357.7 °C at 760 mmHg; (22)Vapour Pressure: 2.69E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: BrCC(=O)c1ccc(N(CC)CC)cc1
(2)InChI: InChI=1S/C12H16BrNO/c1-3-14(4-2)11-7-5-10(6-8-11)12(15)9-13/h5-8H,3-4,9H2,1-2H3
(3)InChIKey: ALTMCDJIFXTEPV-UHFFFAOYSA-N