5-Bromo-2-methoxybenzonitrile

The Benzonitrile,5-bromo-2-methoxy-, with the CAS registry number 144649-99-0, is also known as 4-Bromo-2-cyanoanisole. It belongs to the product categories of Aromatic Nitriles; Anisoles, Alkyloxy Compounds & Phenylacetates; Bromine Compounds; Nitriles; C8 to C9 Chemical Synthesis; Cyanides/Nitriles; New Products for Chemical Synthesis; Nitrogen Compounds; Organic Building Blocks. This chemical's molecular formula is C₈H₆BrNO and molecular weight is 212.04334. Its IUPAC name is called 5-bromo-2-methoxybenzonitrile. The product should be stored in cool, dry and well-ventilated place.

Physical properties of Benzonitrile,5-bromo-2-methoxy-: (1)ACD/LogP: 2.61; (2)ACD/LogD (pH 5.5): 2.61; (3)ACD/LogD (pH 7.4): 2.61; (4)ACD/BCF (pH 5.5): 56.83; (5)ACD/BCF (pH 7.4): 56.83; (6)ACD/KOC (pH 5.5): 627.42; (7)ACD/KOC (pH 7.4): 627.42; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.584; (11)Molar Refractivity: 45.4 cm³; (12)Molar Volume: 135.6 cm³; (13)Surface Tension: 51.1 dyne/cm; (14)Density: 1.56 g/cm³; (15)Flash Point: 127.9 °C; (16)Enthalpy of Vaporization: 52.7 kJ/mol; (17)Boiling Point: 287.8 °C at 760 mmHg; (18)Vapour Pressure: 0.00242 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. Whenever you will contact it, please wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=C(C=C(C=C1)Br)C#N
(2)InChI: InChI=1S/C8H6BrNO/c1-11-8-3-2-7(9)4-6(8)5-10/h2-4H,1H3
(3)InChIKey: LOASAXVECBZCRJ-UHFFFAOYSA-N