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Name |
2-Amino-4-bromobenzonitrile |
EINECS | N/A |
CAS No. | 304858-65-9 | Density | 1.69 g/cm3 |
PSA | 49.81000 | LogP | 2.48418 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H5BrN2 | Boiling Point | 317.825 °C at 760 mmHg |
Molecular Weight | 197.034 | Flash Point | 146.015 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Amino-4-bromobenzonitrile;benzonitrile, 2-amino-4-bromo-; |
Article Data | 5 |
The 2-Amino-4-bromobenzonitrile, with the CAS registry number 304858-65-9, is also called benzonitrile, 2-amino-4-bromo-. It is a kind of organics, and should be stored at dry and cool environment. And the molecular formula of the chemical is C7H5BrN2.
The characteristics of 2-Amino-4-bromobenzonitrile are as followings: (1)ACD/LogP: 2.35; (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: 49.81 Å2; (7)Index of Refraction: 1.652; (8)Molar Refractivity: 42.659 cm3; (9)Molar Volume: 116.611 cm3; (10)Polarizability: 16.911×10-24cm3; (11)Surface Tension: 65.73 dyne/cm; (12)Density: 1.69 g/cm3; (13)Flash Point: 146.015 °C; (14)Enthalpy of Vaporization: 55.927 kJ/mol; (15)Boiling Point: 317.825 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: N#Cc1c(cc(Br)cc1)N
(2)InChI: InChI=1/C7H5BrN2/c8-6-2-1-5(4-9)7(10)3-6/h1-3H,10H2
(3)InChIKey: PWJBXJQMHYIRKI-UHFFFAOYAU