Benzamide,2-bromo-N,N-dimethyl- supplier

Name
2-BROMO-N,N-DIMETHYLBENZAMIDE
EINECS
CAS No. 54616-47-6
Article Data12
CAS DataBase
Density 1.417 g/cm³
Solubility
Melting Point
Formula C₉H₁₀BrNO
Boiling Point 323.3 °C at 760 mmHg
Molecular Weight 228.088
Flash Point 149.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms o-Bromo-N,N-dimethylbenzamide;2-Bromo-N,N-dimethylbenzamide;
PSA 20.31000
LogP 2.15090

Benzamide,2-bromo-N,N-dimethyl- Specification

The Benzamide,2-bromo-N,N-dimethyl-, with CAS registry number 54616-47-6, belongs to the following product categories: (1)Aryl; (2)Organo Halides. It has the systematic name of 2-bromo-N,N-dimethylbenzamide. And the chemical formula of this chemical is C₉H₁₀BrNO.

Physical properties of Benzamide,2-bromo-N,N-dimethyl-: (1)ACD/LogP: 0.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.78; (4)ACD/LogD (pH 7.4): 0.78; (5)ACD/BCF (pH 5.5): 2.32; (6)ACD/BCF (pH 7.4): 2.32; (7)ACD/KOC (pH 5.5): 63.65; (8)ACD/KOC (pH 7.4): 63.65; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 52.32 cm³; (15)Molar Volume: 160.9 cm³; (16)Polarizability: 20.74×10^-24cm³; (17)Surface Tension: 41.5 dyne/cm; (18)Density: 1.417 g/cm³; (19)Flash Point: 149.3 °C; (20)Enthalpy of Vaporization: 56.53 kJ/mol; (21)Boiling Point: 323.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000264 mmHg at 25°C.

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

Product Name

2-BROMO-N,N-DIMETHYLBENZAMIDE

Benzamide,2-bromo-N,N-dimethyl- Specification

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