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CAS No.: | 304858-65-9 |
---|---|
Name: | 2-AMINO-4-BROMOBENZONITRILE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C7H5BrN2 |
Molecular Weight: | 197.034 |
Synonyms: | 2-Amino-4-bromobenzonitrile;benzonitrile, 2-amino-4-bromo-; |
Density: | 1.69 g/cm3 |
Boiling Point: | 317.825 °C at 760 mmHg |
Flash Point: | 146.015 °C |
PSA: | 49.81000 |
LogP: | 2.48418 |
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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