Benzoyl chloride,2,3-dimethyl- (21900-46-9)

The 2,3-Dimethylbenzene-1-carbonyl chloride, with the CAS registry number 21900-46-9, is also known as Benzoyl chloride, 2,3-dimethyl-. It belongs to the product category of Acidhalide. This chemical's molecular formula is C₉H₉ClO and molecular weight is 168.62. Its systematic name is called 2,3-dimethylbenzoyl chloride.

Physical properties of 2,3-Dimethylbenzene-1-carbonyl chloride: (1)ACD/LogP: 3.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.1; (4)ACD/LogD (pH 7.4): 3.13; (5)ACD/BCF (pH 5.5): 140.77; (6)ACD/BCF (pH 7.4): 140.77; (7)ACD/KOC (pH 5.5): 1200.94; (8)ACD/KOC (pH 7.4): 1200.94; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.534; (12)Molar Refractivity: 46.14 cm³; (13)Molar Volume: 148.3 cm³; (14)Surface Tension: 37.1 dyne/cm; (15)Density: 1.136 g/cm³; (16)Melting Point: 2 °C; (17)Flash Point: 105.5 °C; (18)Enthalpy of Vaporization: 48.27 kJ/mol; (19)Boiling Point: 245.6 °C at 760 mmHg; (20)Vapour Pressure: 0.0285 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact and may cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(=O)c1cccc(c1C)C
(2)InChI: InChI=1/C9H9ClO/c1-6-4-3-5-8(7(6)2)9(10)11/h3-5H,1-2H3
(3)InChIKey: WFNKMVDATNLZBX-UHFFFAOYAV