2-Chloro-5-nitrobenzoyl chloride

The 2-Chloro-5-nitrobenzoyl chloride, with CAS registry number 25784-91-2, has the systematic name of 2-chloro-5-nitrobenzoyl chloride. Besides this, it is also called Benzoyl chloride, 2-chloro-5-nitro-. And the chemical formula of this chemical is C₇H₃Cl₂NO₃. The main use of this chemical is for intermediate of organic synthesis. What's more, its EINECS is 247-262-4.

Physical properties of 2-Chloro-5-nitrobenzoyl chloride: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.35; (4)ACD/LogD (pH 7.4): 2.35; (5)ACD/BCF (pH 5.5): 35.96; (6)ACD/BCF (pH 7.4): 35.96; (7)ACD/KOC (pH 5.5): 452.13; (8)ACD/KOC (pH 7.4): 452.13; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 62.89 Å²; (13)Index of Refraction: 1.602; (14)Molar Refractivity: 47.93 cm³; (15)Molar Volume: 139.6 cm³; (16)Polarizability: 19×10^-24cm³; (17)Surface Tension: 56.2 dyne/cm; (18)Density: 1.575 g/cm³; (19)Flash Point: 140 °C; (20)Enthalpy of Vaporization: 54.85 kJ/mol; (21)Boiling Point: 307.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000705 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-chloro-5-nitro-benzoic acid. This reaction will need reagent SOCl₂.

When you are using this chemical, please be cautious about it as the following:
The 2-Chloro-5-nitrobenzoyl chloride may cause burns. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Cl)c1cc(ccc1Cl)[N+]([O-])=O
(2)InChI: InChI=1/C7H3Cl2NO3/c8-6-2-1-4(10(12)13)3-5(6)7(9)11/h1-3H
(3)InChIKey: OGLKKYALUKXVPQ-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C7H3Cl2NO3/c8-6-2-1-4(10(12)13)3-5(6)7(9)11/h1-3H
(5)Std. InChIKey: OGLKKYALUKXVPQ-UHFFFAOYSA-N