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80031-02-3

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Basic Information
CAS No.: 80031-02-3
Name: 2-BROMO-N-ETHYLBENZAMIDE
Article Data: 3
Molecular Structure:
Molecular Structure of 80031-02-3 (2-BROMO-N-ETHYLBENZAMIDE)
Formula: C9H10BrNO
Molecular Weight: 228.088
Synonyms: 2-Bromo-N-ethylbenzamide;
Density: 1.403 g/cm3
Melting Point: 91-95 °C
Boiling Point: 330.5 °C at 760 mmHg
Flash Point: 153.7 °C
Hazard Symbols: IrritantXi
PSA: 29.10000
LogP: 2.58970
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Specification

The Benzamide,2-bromo-N-ethyl- is an organic compound with the formula C9H10BrNO. The systematic name of this chemical is 2-bromo-N-ethylbenzamide. With the CAS registry number 80031-02-3, the product's categories are Blocks; Bromides; Carboxes.

Physical properties about Benzamide,2-bromo-N-ethyl- are: (1)ACD/LogP: 1.74; (2)ACD/LogD (pH 5.5): 1.74; (3)ACD/LogD (pH 7.4): 1.74; (4)ACD/BCF (pH 5.5): 12.39; (5)ACD/BCF (pH 7.4): 12.39; (6)ACD/KOC (pH 5.5): 210.93; (7)ACD/KOC (pH 7.4): 210.93; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 20.31 Å2; (12)Index of Refraction: 1.555; (13)Molar Refractivity: 52.19 cm3; (14)Molar Volume: 162.4 cm3; (15)Polarizability: 20.69×10-24cm3; (16)Surface Tension: 40.8 dyne/cm; (17)Density: 1.403 g/cm3; (18)Flash Point: 153.7 °C; (19)Enthalpy of Vaporization: 57.31 kJ/mol; (20)Boiling Point: 330.5 °C at 760 mmHg; (21)Vapour Pressure: 0.000166 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1Br)NCC
(2)InChI: InChI=1/C9H10BrNO/c1-2-11-9(12)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3,(H,11,12)
(3)InChIKey: DWCBZUWYUAIEEP-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C9H10BrNO/c1-2-11-9(12)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3,(H,11,12)
(5)Std. InChIKey: DWCBZUWYUAIEEP-UHFFFAOYSA-N