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Ethanone,2-bromo-1-[4-(diethylamino)phenyl]-

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Name

Ethanone,2-bromo-1-[4-(diethylamino)phenyl]-

EINECS -0
CAS No. 207986-25-2 Density 1.316 g/cm3
PSA 20.31000 LogP 3.11040
Solubility It is insoluble in water. Melting Point 50-52 °C
Formula C12H16BrNO Boiling Point 357.7 °C at 760 mmHg
Molecular Weight 270.169 Flash Point 170.1 °C
Transport Information N/A Appearance yellow powder
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 207986-25-2 (ALPHA-BROMO-4-(DIETHYLAMINO)ACETOPHENONE) Hazard Symbols IrritantXi
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;

Article Data 2

Ethanone,2-bromo-1-[4-(diethylamino)phenyl]- Specification

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

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