5-Chloro-2-(methylamino)benzophenone

The 5-Chloro-2-(methylamino)benzophenone is an organic compound with the formula C₁₄H₁₂ClNO. The IUPAC name of this chemical is [5-chloro-2-(methylamino)phenyl]-phenylmethanone. With the CAS registry number 1022-13-5, it is also named as methanone, [5-chloro-2-(methylamino)phenyl]phenyl-. The product's categories are Aromatic Benzophenones & Derivatives (substituted); API Intermediates; C13 to C14; Carbonyl Compounds; Ketones. Besides, it should be stored in a closed cool and dry palce. It is used as an intermediate for diazepam.

Physical properties about 5-Chloro-2-(methylamino)benzophenone are: (1)ACD/LogP: 4.66; (2)ACD/LogD (pH 5.5): 4.66; (3)ACD/LogD (pH 7.4): 4.66; (4)ACD/BCF (pH 5.5): 2043.63; (5)ACD/BCF (pH 7.4): 2044.93; (6)ACD/KOC (pH 5.5): 8148.97; (7)ACD/KOC (pH 7.4): 8154.16; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 20.31 Å²; (12)Index of Refraction: 1.627; (13)Molar Refractivity: 70.55 cm³; (14)Molar Volume: 198.9 cm³; (15)Polarizability: 27.96×10^-24cm³; (16)Surface Tension: 47.2 dyne/cm; (17)Density: 1.234 g/cm³; (18)Flash Point: 209 °C; (19)Enthalpy of Vaporization: 67.6 kJ/mol; (20)Boiling Point: 421.9 °C at 760 mmHg; (21)Vapour Pressure: 2.51E-07 mmHg at 25°C.

Preparation: this chemical can be prepared by 7-chloro-1-methyl-2-methylsulfanyl-5-phenyl-1H-benzo[e][1,2,4]triazeπne. This reaction will need reagent 5 mol/l HCl. The reaction time is 10 hours by heating. The yield is about 91%.

Uses of 5-Chloro-2-(methylamino)benzophenone: it can be used to produce 5-Chlor-2-methylaminobenzophenonthiosemicarbazon by heating. It will need reagent p-toluenesulfonic acid and solvent ethanol with reaction time of 24 hours. The yield is about 35%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable 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: Clc1cc(c(NC)cc1)C(=O)c2ccccc2
(2)InChI: InChI=1/C14H12ClNO/c1-16-13-8-7-11(15)9-12(13)14(17)10-5-3-2-4-6-10/h2-9,16H,1H3
(3)InChIKey: WPNMLCMTDCANOZ-UHFFFAOYAQ
 (4)Std. InChI: InChI=1S/C14H12ClNO/c1-16-13-8-7-11(15)9-12(13)14(17)10-5-3-2-4-6-10/h2-9,16H,1H3
(5)Std. InChIKey: WPNMLCMTDCANOZ-UHFFFAOYSA-N