N-[4-(2-Bromoacetyl)phenyl)acetamide supplier

Name
AKOS BBS-00004805
EINECS
CAS No. 21675-02-5
Article Data22
CAS DataBase
Density 1.531g/cm³
Solubility
Melting Point
Formula C₁₀H₁₀BrNO₂
Boiling Point 433.168 °C at 760 mmHg
Molecular Weight 256.099
Flash Point 215.773 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms acetamide, N-[4-(2-bromoacetyl)phenyl]-;4'-Bromoacetoacetanilide;N-[4-(Bromoacetyl)phenyl]acetamide;
PSA 46.17000
LogP 2.29560

N-[4-(2-Bromoacetyl)phenyl)acetamide Specification

The N-[4-(2-Bromoacetyl)phenyl)acetamide with cas registry number of 21675-02-5, has the systematic name of N-[4-(bromoacetyl)phenyl]acetamide. And it is also named acetamide, N-[4-(2-bromoacetyl)phenyl]-.

Physical properties about this chemical are: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 13; (6)ACD/BCF (pH 7.4): 13; (7)ACD/KOC (pH 5.5): 217; (8)ACD/KOC (pH 7.4): 217; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.17 Å²; (13)Index of Refraction: 1.614; (14)Molar Refractivity: 58.285 cm³; (15)Molar Volume: 167.228 cm³; (16)Polarizability: 23.106×10^-24cm³; (17)Surface Tension: 51.661 dyne/cm; (18)Enthalpy of Vaporization: 68.908 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C)Nc1ccc(cc1)C(=O)CBr;
(2)InChI: InChI=1/C10H10BrNO2/c1-7(13)12-9-4-2-8(3-5-9)10(14)6-11/h2-5H,6H2,1H3,(H,12,13);
(3)InChIKey: BDOHURFEYYDIQE-UHFFFAOYAN;
(4)Std. InChI: InChI=1S/C10H10BrNO2/c1-7(13)12-9-4-2-8(3-5-9)10(14)6-11/h2-5H,6H2,1H3,(H,12,13);
(5)Std. InChIKey: BDOHURFEYYDIQE-UHFFFAOYSA-N

Product Name

AKOS BBS-00004805

N-[4-(2-Bromoacetyl)phenyl)acetamide Specification

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