3-Bromobenzoyl chloride

The IUPAC name of 3-Bromobenzoyl chloride is 3-bromobenzoyl chloride. With the CAS registry number 1711-09-7, it is also named as Benzoyl chloride, 3-bromo-. The product's categories are Acid Halides; Carbonyl Compounds; Organic Building Blocks. Besides, it is colorless liquid, which should be stored in closed containers in a cool, dry place. In addition, its molecular formula is C₇H₄BrClO and molecular weight is 219.46.

The other characteristics of this product can be summarized as: (1)EINECS: 216-978-9; (2)ACD/LogP: 3.18; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 3.18; (5)ACD/LogD (pH 7.4): 3.18; (6)ACD/BCF (pH 5.5): 154.34; (7)ACD/BCF (pH 7.4): 154.34; (8)ACD/KOC (pH 5.5): 1282.66; (9)ACD/KOC (pH 7.4): 1282.66; (10)#H bond acceptors: 1; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 1; (13)Polar Surface Area: 17.07 Å²; (14)Index of Refraction: 1.584; (15)Molar Refractivity: 44.18 cm³; (16)Molar Volume: 132 cm³; (17)Polarizability: 17.51×10^-24cm³; (18)Surface Tension: 44.8 dyne/cm; (19)Density: 1.662 g/cm³; (20)Flash Point: 105.9 °C; (21)Enthalpy of Vaporization: 49.94 kJ/mol; (22)Boiling Point: 261.7 °C at 760 mmHg; (23)Vapour Pressure: 0.0114 mmHg at 25 °C.

Uses of 3-Bromobenzoyl chloride: this chemical is an intermediate used in organic synthesis. Additionally, it can react with 1H-pyridin-4-one to get 4-(3-Brombenzoyloxy)pyridin.



This reaction needs pyridine and CH₂Cl₂ at ambient temperature for 1 hour. The yield is 89 %.

When you are using this chemical, please be cautious about it as the following: it may cause burns. It also irritates to respiratory system. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection. Moreover, in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: C1=CC(=CC(=C1)Br)C(=O)Cl
(2)InChI: InChI=1S/C7H4BrClO/c8-6-3-1-2-5(4-6)7(9)10/h1-4H
(3)InChIKey: PBOOZQFGWNZNQE-UHFFFAOYSA-N