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37904-72-6

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Basic Information
CAS No.: 37904-72-6
Name: 2-BROMO-1-(4-DIMETHYLAMINO-PHENYL)-ETHANONE
Article Data: 17
Molecular Structure:
Molecular Structure of 37904-72-6 (2-BROMO-1-(4-DIMETHYLAMINO-PHENYL)-ETHANONE)
Formula: C10H12BrNO
Molecular Weight: 242.115
Synonyms: 2-Bromo-1-[4-(dimethylamino)phenyl]ethanone;2-Bromo-4-(dimethylamino)acetophenone;2-Bromo-4'-(dimethylamino)acetophenone;p-Dimethylaminophenacyl bromide;w-Bromo-4-(N,N-dimethylamino)acetophenone;
Density: 1.406 g/cm3
Melting Point: 89-92 °C
Boiling Point: 330.2 °C at 760 mmHg
Flash Point: 153.5 °C
Hazard Symbols: IrritantXi
PSA: 20.31000
LogP: 2.33020
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Specification

The Ethanone,2-bromo-1-[4-(dimethylamino)phenyl]- is an organic compound with the formula C10H12BrNO. The IUPAC name of this chemical is 2-bromo-1-(4-dimethylaminophenyl)ethanone. With the CAS registry number 37904-72-6, it is also named as 4-(Dimethylamino)phenacyl bromide. The product's categories are Blocks; Bromides.

Physical properties about Ethanone,2-bromo-1-[4-(dimethylamino)phenyl]- are: (1)ACD/LogP: 2.63; (2)ACD/LogD (pH 5.5): 2.63; (3)ACD/LogD (pH 7.4): 2.63; (4)ACD/BCF (pH 5.5): 58.23; (5)ACD/BCF (pH 7.4): 58.24; (6)ACD/KOC (pH 5.5): 638.39; (7)ACD/KOC (pH 7.4): 638.46; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10) Polar Surface Area: 20.31 Å2; (11)Index of Refraction: 1.592; (12)Molar Refractivity: 58.32 cm3; (13)Molar Volume: 172.1 cm3; (14)Polarizability: 23.12×10-24cm3; (15)Surface Tension: 45.3 dyne/cm; (16)Density: 1.406 g/cm3; (17)Flash Point: 153.5 °C; (18)Enthalpy of Vaporization: 57.28 kJ/mol; (19)Boiling Point: 330.2 °C at 760 mmHg; (20)Vapour Pressure: 0.000169 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCC(=O)c1ccc(N(C)C)cc1
(2)InChI: InChI=1/C10H12BrNO/c1-12(2)9-5-3-8(4-6-9)10(13)7-11/h3-6H,7H2,1-2H3
(3)InChIKey: YWNKTZFJKMGVRP-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C10H12BrNO/c1-12(2)9-5-3-8(4-6-9)10(13)7-11/h3-6H,7H2,1-2H3
(5)Std. InChIKey: YWNKTZFJKMGVRP-UHFFFAOYSA-N