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| CAS No.: | 72115-09-4 |
|---|---|
| Name: | 5-AMINO-2-BROMOBENZONITRILE |
| Molecular Structure: | |
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| Formula: | C7H5BrN2 |
| Molecular Weight: | 197.034 |
| Synonyms: | 5-Amino-2-bromobenzonitrile; |
| Density: | 1.68g/cm3 |
| Boiling Point: | 339.4 °C at 760 mmHg |
| Flash Point: | 159.1 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:Irritant; ">  Xi:Irritant; |
| PSA: | 49.81000 |
| LogP: | 2.48418 |
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- Total:38 Page 1 of 1 1
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Specification
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