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Name |
5-Amino-2-bromobenzonitrile |
EINECS | N/A |
CAS No. | 72115-09-4 | Density | 1.68g/cm3 |
PSA | 49.81000 | LogP | 2.48418 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H5BrN2 | Boiling Point | 339.4 °C at 760 mmHg |
Molecular Weight | 197.034 | Flash Point | 159.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes |
Xi:Irritant; |
|
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
5-Amino-2-bromobenzonitrile; |
Article Data | 1 |
The 5-Amino-2-bromobenzonitrile, with CAS registry number 72115-09-4, has the systematic name of 5-amino-2-bromobenzonitrile. This chemical belongs to the following product categories: (1)Amines; (2)Blocks; (3)Bromides; (4)Carboxes. Besides this, it is also called benzonitrile, 5-amino-2-bromo-. And the chemical formula of this chemical is C7H5BrN2.
Physical properties of 5-Amino-2-bromobenzonitrile: (1)ACD/LogP: 1.98; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 27.03 Å2; (7)Index of Refraction: 1.652; (8)Molar Refractivity: 42.65 cm3; (9)Molar Volume: 116.6 cm3; (10)Polarizability: 16.91×10-24cm3; (11)Surface Tension: 65.7 dyne/cm; (12)Enthalpy of Vaporization: 58.28 kJ/mol; (13)Vapour Pressure: 9.22E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1cc(ccc1Br)N
(2)InChI: InChI=1/C7H5BrN2/c8-7-2-1-6(10)3-5(7)4-9/h1-3H,10H2
(3)InChIKey: VAWTVSTXVGCVJW-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C7H5BrN2/c8-7-2-1-6(10)3-5(7)4-9/h1-3H,10H2
(5)Std. InChIKey: VAWTVSTXVGCVJW-UHFFFAOYSA-N