Basic information
- Name:
Methanone,(2-amino-5-nitrophenyl)(2-chlorophenyl)-
- Superlist Name:
- 2-Amino-2'-chloro-5-nitro benzophenone
- CAS No.:
2011-66-7
- Molecular Structure:

- Formula:
- C13H9ClN2O3
- Molecular Weight:
- 276.6752
- Synonyms:
- Benzophenone,2-amino-2'-chloro-5-nitro- (7CI,8CI);2-Amino-5-nitro-2'-chlorobenzophenone;
- EINECS:
- 217-929-4
- Density:
- 1.428 g/cm3
- Boiling Point:
- 505.8 °C at 760 mmHg
- Flash Point:
- 259.7 °C
- Appearance:
- yellow crystal powder
- Hazard Symbols:
Xi
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Specification
The IUPAC name of 2-Amino-2'-chloro-5-nitro benzophenone is (2-amino-5-nitrophenyl)-(2-chlorophenyl)methanone. With the CAS registry number 2011-66-7, it is also named as methanone, (2-amino-5-nitrophenyl)(2-chlorophenyl)-. The product's categories are Fine Chemical & Intermediates; Aromatic Benzophenones & Derivatives (substituted);(intermediate of clonazepam,loprazolam); Amines; Aromatics. It is yellow crystal powder.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.22; (4)ACD/LogD (pH 7.4): 3.22; (5)ACD/BCF (pH 5.5): 166.28; (6)ACD/BCF (pH 7.4): 166.28; (7)ACD/KOC (pH 5.5): 1352.95; (8)ACD/KOC (pH 7.4): 1352.95; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.662; (13)Molar Refractivity: 71.72 cm3; (14)Molar Volume: 193.6 cm3; (15)Polarizability: 28.43×10-24 cm3; (16)Surface Tension: 62.3 dyne/cm; (17)Enthalpy of Vaporization: 77.55 kJ/mol; (18)Vapour Pressure: 2.36E-10 mmHg at 25°C; (19)Rotatable Bond Count: 2; (20)Tautomer Count: 4; (21)Exact Mass: 276.03017; (22)MonoIsotopic Mass: 276.03017; (23)Topological Polar Surface Area: 88.9; (24)Heavy Atom Count: 19; (25)Complexity: 358.
Uses of 2-Amino-2'-chloro-5-nitro benzophenone: It can react with N-(toluene-4-sulfonyl)-glycyl chloride to get N-[2-(2-chloro-benzoyl)-4-nitro-phenyl]-2-(toluene-4-sulfonylamino)-acetamide. This reaction needs solvent acetone at temperature of 70 °C. The yield is 53 %.
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People can use the following data to convert to the molecule structure.
1. SMILES:O=C(c1ccccc1Cl)c2cc([N+]([O-])=O)ccc2N
2. InChI:InChI=1/C13H9ClN2O3/c14-11-4-2-1-3-9(11)13(17)10-7-8(16(18)19)5-6-12(10)15/h1-7H,15H2

