Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-Bromo-4-cyano-2-hydroxy-1-aminobenzene |
EINECS | N/A |
CAS No. | 676124-40-6 | Density | 1.87 g/cm3 |
PSA | 70.04000 | LogP | 2.18978 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H5BrN2O | Boiling Point | 334.2 °C at 760 mmHg |
Molecular Weight | 213.03 | Flash Point | 155.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Amino-2-bromo-3-hydroxy-benzonitrile;4-Amino-2-bromo-3-hydroxybenzonitrile;Benzonitrile, 4-amino-2-bromo-3-hydroxy-; |
Article Data | 1 |
The 3-Bromo-4-cyano-2-hydroxy-1-aminobenzene, with the CAS registry number 676124-40-6, is also known as Benzonitrile, 4-amino-2-bromo-3-hydroxy-. This chemical's molecular formula is C7H5BrN2O and formula weight is 213.03. What's more, its IUPAC name is 4-amino-2-bromo-3-hydroxybenzonitrile.
Physical properties of 3-Bromo-4-cyano-2-hydroxy-1-aminobenzene are: (1)ACD/LogP: 2.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.52; (4)ACD/LogD (pH 7.4): 1.91; (5)#H bond acceptors: 3; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 70.04 Å2; (9)Index of Refraction: 1.704; (10)Molar Refractivity: 44.18 cm3; (11)Molar Volume: 113.8 cm3; (12)Surface Tension: 86.6 dyne/cm; (13)Density: 1.87 g/cm3; (14)Flash Point: 155.9 °C; (15)Enthalpy of Vaporization: 60.01 kJ/mol; (16)Boiling Point: 334.2 °C at 760 mmHg; (17)Vapour Pressure: 6.68E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C(=C1C#N)Br)O)N
(2)InChI: InChI=1S/C7H5BrN2O/c8-6-4(3-9)1-2-5(10)7(6)11/h1-2,11H,10H2
(3)InChIKey: VGUIJZQPLIBOHZ-UHFFFAOYSA-N