CAS No.76041-86-6,2-BROMO-N,N-DIETHYLBENZAMIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	76041-86-6
Name:	2-BROMO-N,N-DIETHYLBENZAMIDE
Article Data:	14

Formula:	C₁₁H₁₄BrNO
Molecular Weight:	256.142
Synonyms:	Benzamide,o-bromo-N,N-diethyl- (5CI);2-Bromo-N,N-diethylbenzamide;N,N-Diethyl-2-bromobenzamide;
Density:	1.32 g/cm³
Boiling Point:	349.5 °C at 760 mmHg
Flash Point:	165.2 °C
Hazard Symbols:	Xi
PSA:	20.31000
LogP:	2.93110

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Specification

The Benzamide,2-bromo-N,N-diethyl- is an organic compound with the formula C₁₁H₁₄BrNO. The systematic name of this chemical is 2-bromo-N,N-diethylbenzamide. With the CAS registry number 76041-86-6, it is also named as N,N-Diethyl 2-bromobenzamide. The product's categories are Blocks; Bromides; Carboxes; Aromatics Compounds; Aromatics.

Physical properties about Benzamide,2-bromo-N,N-diethyl- are: (1)ACD/LogP: 1.85; (2)ACD/LogD (pH 5.5): 1.85; (3)ACD/LogD (pH 7.4): 1.85; (4)ACD/BCF (pH 5.5): 14.93; (5)ACD/BCF (pH 7.4): 14.93; (6)ACD/KOC (pH 5.5): 240.94; (7)ACD/KOC (pH 7.4): 240.94; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 20.31 Å²; (11)Index of Refraction: 1.547; (12)Molar Refractivity: 61.59 cm³; (13)Molar Volume: 193.9 cm³; (14)Polarizability: 24.41×10^-24cm³; (15)Surface Tension: 40 dyne/cm; (16)Density: 1.32 g/cm³; (17)Flash Point: 165.2 °C; (18)Enthalpy of Vaporization: 59.4 kJ/mol; (19)Boiling Point: 349.5 °C at 760 mmHg; (20)Vapour Pressure: 4.68E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1Br)N(CC)CC
(2)InChI: InChI=1/C11H14BrNO/c1-3-13(4-2)11(14)9-7-5-6-8-10(9)12/h5-8H,3-4H2,1-2H3
(3)InChIKey: BYMBWCOGISFGJL-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C11H14BrNO/c1-3-13(4-2)11(14)9-7-5-6-8-10(9)12/h5-8H,3-4H2,1-2H3
(5)Std. InChIKey: BYMBWCOGISFGJL-UHFFFAOYSA-N