2-BROMO-5-METHOXYBENZOYL CHLORIDE

The CAS register number of Benzoyl chloride, 2-bromo-5-methoxy- is 56658-04-9. It also can be called as 2-bromo-5-methoxybenzene-1-carbonyl chloride and the IUPAC name about this chemical is 2-bromo-5-methoxybenzoyl chloride. The molecular formula about this chemical is C₈H₆BrClO₂ and the molecular weight is 249.49.

Physical properties about Benzoyl chloride, 2-bromo-5-methoxy- are: (1)ACD/LogP: 2.99; (2)ACD/LogD (pH 5.5): 2.98; (3)ACD/LogD (pH 7.4): 2.98; (4)ACD/BCF (pH 5.5): 109.21; (5)ACD/BCF (pH 7.4): 109.21; (6)ACD/KOC (pH 5.5): 1001.39; (7)ACD/KOC (pH 7.4): 1001.39; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 26.3Ų; (11)Index of Refraction: 1.565; (12)Molar Refractivity: 50.86 cm³; (13)Molar Volume: 156 cm³; (14)Polarizability: 20.16x10^-24cm³; (15)Surface Tension: 42.4 dyne/cm; (16)Enthalpy of Vaporization: 53.92 kJ/mol; (17)Boiling Point: 299.2 °C at 760 mmHg; (18)Vapour Pressure: 0.00121 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-bromo-5-methoxy-benzoic acid at heating. This reaction will need reagent SOCl₂. The reaction time is 1 hour(s).

Uses of Benzoyl chloride, 2-bromo-5-methoxy-: it can be used to produce 1-(2-bromo-5-methoxy-phenyl)-3-phenyl-propynone with ethynylbenzene at ambient temperature. This reaction will need reagent NEt₃, PPH₃ and catalyst PdCl₂(PPh₃)₂/CuI with reaction time of 20 hours. The yield is about 48%.

When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Cl)c1cc(OC)ccc1Br
(2)InChI: InChI=1/C8H6BrClO2/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3
(3)InChIKey: RZCQJXVXRYIJQE-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C8H6BrClO2/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3
(5)Std. InChIKey: RZCQJXVXRYIJQE-UHFFFAOYSA-N