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Cas Database |
| Name |
2-Amino-2'-chloro-5-nitro benzophenone |
EINECS | 217-929-4 |
| CAS No. | 2011-66-7 | Density | 1.428 g/cm3 |
| PSA | 88.91000 | LogP | 4.16580 |
| Solubility | N/A | Melting Point |
157-163oC |
| Formula | C13H9ClN2O3 | Boiling Point | 505.8 °C at 760 mmHg |
| Molecular Weight | 276.679 | Flash Point | 259.7 °C |
| Transport Information | N/A | Appearance | yellow crystal powder |
| Safety | 53-26-36/37-60 | Risk Codes | 46-36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Benzophenone,2-amino-2'-chloro-5-nitro- (7CI,8CI);2-Amino-5-nitro-2'-chlorobenzophenone; |
Article Data | 12 |
2-Amino-2'-chloro-5-nitro benzophenone Synthetic route
- 17420-30-3
5-nitroanthranilonitrile
- 3900-89-8
2-Chlorobenzeneboronic acid
- 2011-66-7
2'-chloro-5-nitro-2-aminobenzophenone
| Conditions | Yield |
|---|---|
| With 5,5'-dimethyl-2,2'-bipyridine; methanesulfonic acid; palladium(II) trifluoroacetate; water In 2-methyltetrahydrofuran at 100℃; for 36h; Reagent/catalyst; Solvent; Sealed tube; Inert atmosphere; Cooling with ice; | 95% |
| With 5,5'-dimethyl-2,2'-bipyridine; methanesulfonic acid; palladium(II) trifluoroacetate In 2-methyltetrahydrofuran; water at 90℃; for 36h; |
| Conditions | Yield |
|---|---|
| With tetrakis(triphenylphosphine) palladium(0) In water; toluene at 90℃; for 12h; Reagent/catalyst; Temperature; Solvent; | 94% |
- 55501-45-6
2-chloro-N-(4-nitrophenyl)benzamide
- 609-65-4
o-chlorobenzoyl chloride
- 2011-66-7
2'-chloro-5-nitro-2-aminobenzophenone
| Conditions | Yield |
|---|---|
| With sulfuric acid; acetic acid; zinc(II) chloride Yield given. Multistep reaction; |
- 61197-73-7
loprazolam
- 2011-66-7
2'-chloro-5-nitro-2-aminobenzophenone
| Conditions | Yield |
|---|---|
| With hydrogenchloride for 2h; Heating; |
- 364046-84-4, 364046-86-6
5-(2-chlorophenyl)-1,3-dihydro-7-nitro-2H-1,4-benzodiazepin-2-one
- 2011-66-7
2'-chloro-5-nitro-2-aminobenzophenone
| Conditions | Yield |
|---|---|
| With hydrogenchloride In ethanol Heating; |
- 609-65-4
o-chlorobenzoyl chloride
- 100-01-6
4-nitro-aniline
- 2011-66-7
2'-chloro-5-nitro-2-aminobenzophenone
| Conditions | Yield |
|---|---|
| With zinc(II) chloride |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: 12 h / Reflux 2: tetrahydrofuran / 0.33 h / Cooling with ice 3: hydrogenchloride / ethanol; water / Reflux View Scheme |
- 10073-89-9
2-methyl-6-nitro-4H-benzo[d][1,3]oxazin-4-one
- 2011-66-7
2'-chloro-5-nitro-2-aminobenzophenone
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: tetrahydrofuran / 0.33 h / Cooling with ice 2: hydrogenchloride / ethanol; water / Reflux View Scheme |
- 2011-66-7
2'-chloro-5-nitro-2-aminobenzophenone
| Conditions | Yield |
|---|---|
| With hydrogenchloride In ethanol; water Reflux; | 4.54 g |
| Conditions | Yield |
|---|---|
| With sodium carbonate In dichloromethane for 0.166667h; Cooling with ice; | 94% |
| With sodium carbonate In dichloromethane at 0 - 20℃; for 0.166667h; | 93% |
| With sodium carbonate In dichloromethane for 0.166667h; Cooling with ice; | 93% |
| In toluene for 0.025h; Microwave irradiation; | 82% |
2-Amino-2'-chloro-5-nitro benzophenone 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
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