2-Bromo-5-hydroxybenzonitrile supplier

Name
2-BROMO-5-HYDROXYBENZONITRILE
EINECS
CAS No. 189680-06-6
Article Data8
CAS DataBase
Density 1.794 g/cm³
Solubility
Melting Point
Formula C₇H₄BrNO
Boiling Point 321.212 °C at 760 mmHg
Molecular Weight 198.019
Flash Point 148.064 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-BroMo-5-hydroxybenzonitrle
PSA 44.02000
LogP 2.02638

2-Bromo-5-hydroxybenzonitrile 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

Product Name

2-BROMO-5-HYDROXYBENZONITRILE

2-Bromo-5-hydroxybenzonitrile Specification

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