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| CAS No.: | 189680-06-6 |
|---|---|
| Name: | 2-BROMO-5-HYDROXYBENZONITRILE |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C7H4BrNO |
| Molecular Weight: | 198.019 |
| Synonyms: | 2-BroMo-5-hydroxybenzonitrle |
| Density: | 1.794 g/cm3 |
| Boiling Point: | 321.212 °C at 760 mmHg |
| Flash Point: | 148.064 °C |
| PSA: | 44.02000 |
| LogP: | 2.02638 |
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Specification
The Benzonitrile,2-bromo-5-hydroxy-, with the CAS registry number 189680-06-6, belongs to the product category of Aromatic Nitriles. This chemical's molecular formula is C7H4BrNO and molecular weight is 198.02. Its systematic name is called 2-bromo-5-hydroxybenzonitrile.
Physical properties of Benzonitrile,2-bromo-5-hydroxy-: (1)ACD/LogP: 2.51; (2)ACD/LogD (pH 5.5): 2.51; (3)ACD/LogD (pH 7.4): 2.41; (4)ACD/BCF (pH 5.5): 47.26; (5)ACD/BCF (pH 7.4): 38.07; (6)ACD/KOC (pH 5.5): 549.31; (7)ACD/KOC (pH 7.4): 442.54; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.656; (12)Molar Refractivity: 40.57 cm3; (13)Molar Volume: 110.3 cm3; (14)Surface Tension: 69.9 dyne/cm; (15)Density: 1.79 g/cm3; (16)Flash Point: 148.1 °C; (17)Enthalpy of Vaporization: 58.53 kJ/mol; (18)Boiling Point: 321.2 °C at 760 mmHg; (19)Vapour Pressure: 0.000161 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1cc(O)ccc1Br
(2)InChI: InChI=1/C7H4BrNO/c8-7-2-1-6(10)3-5(7)4-9/h1-3,10H
(3)InChIKey: IXJNUEMHAJZKFW-UHFFFAOYAQ