2-CHLORO-4-NITROBENZOYL CHLORIDE

The Benzoyl chloride,2-chloro-4-nitro-, with the CAS registry number 7073-36-1, is also known as 4-Nitro-2-chlorobenzoyl chloride. It belongs to the product category of Aromatic Halides (substituted). Its EINECS registry number is 230-367-4. This chemical's molecular formula is C₇H₃Cl₂NO₃ and molecular weight is 220.01. What's more, both its IUPAC name and systematic name are the same which is called 2-Chloro-4-nitrobenzoyl chloride.

Physical properties about Benzoyl chloride,2-chloro-4-nitro- are: (1)ACD/LogP: 2.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.44; (4)ACD/LogD (pH 7.4): 2.44; (5)ACD/BCF (pH 5.5): 41.96; (6)ACD/BCF (pH 7.4): 41.96; (7)ACD/KOC (pH 5.5): 504.94; (8)ACD/KOC (pH 7.4): 504.94; (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)Surface Tension: 56.2 dyne/cm; (17)Density: 1.575 g/cm³; (18)Flash Point: 134.7 °C; (19)Enthalpy of Vaporization: 53.92 kJ/mol; (20)Boiling Point: 299.2 °C at 760 mmHg; (21)Vapour Pressure: 0.00121 mmHg at 25 °C.

Uses of Benzoyl chloride,2-chloro-4-nitro-: it is used to produce other chemicals. For example, it is used to produce [5-(2-Chloro-4-nitro-benzoyl)-thiophen-2-yl]-acetonitrile. This reaction needs reagent AlCl₃ and solvent 1,2-dichloro-ethane. The reaction time is 15 min. The yield is 51 %.

When you are dealing with this chemical, you should be very careful. This chemical may cause burns. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Cl)c1ccc(cc1Cl)[N+]([O-])=O
(2) InChI: InChI=1/C7H3Cl2NO3/c8-6-3-4(10(12)13)1-2-5(6)7(9)11/h1-3H
(3) InChIKey: KTHNITVDTYAHFF-UHFFFAOYAR