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51688-73-4

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Basic Information
CAS No.: 51688-73-4
Name: 4-BROMO-2-ETHYLACETANILIDE
Article Data: 7
Molecular Structure:
Molecular Structure of 51688-73-4 (4-BROMO-2-ETHYLACETANILIDE)
Formula: C10H12BrNO
Molecular Weight: 242.115
Synonyms: Acetanilide,4'-bromo-2'-ethyl- (7CI);N-(4-bromo-2-ethylphenyl)acetamide;N1-(4-bromo-2-ethylphenyl)acetamide;
EINECS: 610-716-0
Density: 1.411 g/cm3
Melting Point: 142-144 °C
Boiling Point: 370.6 °C at 760 mmHg
Flash Point: 177.9 °C
Hazard Symbols: Xi
Safety: 22-24/25
PSA: 29.10000
LogP: 3.04290
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Specification

The Acetamide,N-(4-bromo-2-ethylphenyl)-, with the CAS registry number 51688-73-4, has the systematic name of N-(4-bromo-2-ethylphenyl)acetamide. And the molecular formula of this chemical is C10H12BrNO. It belongs to the following product categories: Anilines, Amides & Amines; Bromine Compounds. In addition, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.

The physical properties of Acetamide,N-(4-bromo-2-ethylphenyl)- are as following: (1)ACD/LogP: 3.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.28; (4)ACD/LogD (pH 7.4): 3.28; (5)ACD/BCF (pH 5.5): 183.6; (6)ACD/BCF (pH 7.4): 183.61; (7)ACD/KOC (pH 5.5): 1452.42; (8)ACD/KOC (pH 7.4): 1452.43; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.588; (14)Molar Refractivity: 57.76 cm3; (15)Molar Volume: 171.5 cm3; (16)Polarizability: 22.8×10-24cm3; (17)Surface Tension: 42.5 dyne/cm; (18)Density: 1.411 g/cm3; (19)Flash Point: 177.9 °C; (20)Enthalpy of Vaporization: 61.75 kJ/mol; (21)Boiling Point: 370.6 °C at 760 mmHg; (22)Vapour Pressure: 1.1E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(c(NC(=O)C)cc1)CC
(2)InChI: InChI=1/C10H12BrNO/c1-3-8-6-9(11)4-5-10(8)12-7(2)13/h4-6H,3H2,1-2H3,(H,12,13)
(3)InChIKey: OMNWZCYGIXXMPS-UHFFFAOYAE