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| CAS No.: | 77326-62-6 |
|---|---|
| Name: | 2-Amino-6-bromobenzonitrile |
| Molecular Structure: | |
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| Formula: | C7H5BrN2 |
| Molecular Weight: | 197.034 |
| Synonyms: | 2-AMINO-6-BROMOBENZONITRILE;2-Amino-6-bromobenzonitrile 97%;3-Bromo-2-cyanoaniline |
| Density: | 1.69 g/cm3 |
| Melting Point: | 152-154℃ |
| Boiling Point: | 343.338 °C at 760 mmHg |
| Flash Point: | 161.445 °C |
| PSA: | 49.81000 |
| LogP: | 2.48418 |
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Specification
The CAS register number of 2-Amino-6-bromobenzonitrile is 77326-62-6. The molecular formula about this chemical is C7H5BrN2 and the molecular weight is 197.0341.
Physical properties about 2-Amino-6-bromobenzonitrile are: (1)ACD/LogP: 2.26; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 37; (5)ACD/BCF (pH 7.4): 37; (6)ACD/KOC (pH 5.5): 462; (7)ACD/KOC (pH 7.4): 462; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 49.81 Å2; (12)Index of Refraction: 1.652; (13)Molar Refractivity: 42.659 cm3; (14)Molar Volume: 116.611 cm3; (15)Polarizability: 16.911x10-24cm3; (16)Surface Tension: 65.73 dyne/cm; (17)Density: 1.69 g/cm3; (18)Flash Point: 161.445 °C; (19)Enthalpy of Vaporization: 58.719 kJ/mol; (20)Boiling Point: 343.338 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1c(cccc1Br)N
(2)InChI: InChI=1/C7H5BrN2/c8-6-2-1-3-7(10)5(6)4-9/h1-3H,10H2
(3)InChIKey: ZKZYTSGUONPOPF-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C7H5BrN2/c8-6-2-1-3-7(10)5(6)4-9/h1-3H,10H2
(5)Std. InChIKey: ZKZYTSGUONPOPF-UHFFFAOYSA-N