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CAS No.: | 5462-30-6 |
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Name: | N1-(4,5-DICHLORO-2-NITROPHENYL)ACETAMIDE |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C8H6Cl2N2O3 |
Molecular Weight: | 249.053 |
Synonyms: | Acetanilide,4',5'-dichloro-2'-nitro- (8CI);NSC 17009; |
Density: | 1.573 g/cm3 |
Melting Point: | 124-128 °C(lit.) |
Boiling Point: | 418.4 °C at 760 mmHg |
Flash Point: | 206.8 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-36/37/38 |
Safety: | 26-36/37 |
PSA: | 74.92000 |
LogP: | 3.45620 |
Conditions | Yield |
---|---|
With sulfuric acid; sulfur trioxide; nitric acid at 3 - 13℃; for 6.5h; | 95.23% |
With sulfuric acid; nitric acid 1.) 0 deg C, 10 min, 2.) RT, 30 min; |
Conditions | Yield |
---|---|
With sulfuric acid; sulfur trioxide; nitric acid at 3 - 13℃; for 6.5h; | A 92% B 6% |
ethyl nitrate
N-(3,4-dichlorophenyl)acetamide
N-(4,5-dichloro-2-nitrophenyl)acetamide
Conditions | Yield |
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With sulfuric acid |
Conditions | Yield |
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With nitric acid |
Conditions | Yield |
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With nitric acid mann trennt durch fraktionierte Krystallisation aus Alkohol; |
Conditions | Yield |
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Multi-step reaction with 2 steps 1: acetic acid / 0.25 h / Heating 2: 60percent nitric acid, conc. sulfuric acid / 1.) 0 deg C, 10 min, 2.) RT, 30 min View Scheme |
N-(4,5-dichloro-2-nitrophenyl)acetamide
Conditions | Yield |
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With hydrogen In tetrahydrofuran; water at 120℃; under 37503.8 Torr; for 15h; chemoselective reaction; | 93% |
With formic acid; triethylamine In tetrahydrofuran at 100℃; for 15h; Inert atmosphere; Sealed tube; chemoselective reaction; | 93% |
Conditions | Yield |
---|---|
With potassium carbonate In dimethyl sulfoxide at 100℃; for 3h; | 88% |
N-(4,5-dichloro-2-nitrophenyl)acetamide
4-hydroxy-benzoic acid
4-(2'-Chloro-4'-nitro-5'-acetamidophenoxy)benzoic acid
Conditions | Yield |
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With potassium carbonate In dimethyl sulfoxide at 100℃; for 2.5h; | 87% |
Stage #1: 4-hydroxy-benzoic acid With potassium carbonate In dimethyl sulfoxide at 75℃; for 0.25h; Stage #2: N-(4,5-dichloro-2-nitrophenyl)acetamide In dimethyl sulfoxide at 110℃; for 6h; | 3.1 g |
N-(4,5-dichloro-2-nitrophenyl)acetamide
C14H19ClN4O3
Conditions | Yield |
---|---|
With potassium carbonate; potassium iodide In N,N-dimethyl-formamide at 90℃; for 16h; | 79% |
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The Acetamide,N-(4,5-dichloro-2-nitrophenyl)-, with the CAS registry number 5462-30-6, is also known as 4',5'-Dichloro-2'-nitroacetanilide. It belongs to the product categories of Anilines, Amides & Amines; Chlorine Compounds; Nitro Compounds. This chemical's molecular formula is C8H6Cl2N2O3 and molecular weight is 249.05. Its systematic name is called N-(4,5-dichloro-2-nitrophenyl)acetamide.
Physical properties of Acetamide,N-(4,5-dichloro-2-nitrophenyl)-: (1)ACD/LogP: 2.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.72; (4)ACD/LogD (pH 7.4): 2.72; (5)ACD/BCF (pH 5.5): 68.25; (6)ACD/BCF (pH 7.4): 68.25; (7)ACD/KOC (pH 5.5): 715.28; (8)ACD/KOC (pH 7.4): 715.27; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.637; (13)Molar Refractivity: 56.86 cm3; (14)Molar Volume: 158.2 cm3; (15)Surface Tension: 58.7 dyne/cm; (16)Density: 1.573 g/cm3; (17)Flash Point: 206.8 °C; (18)Enthalpy of Vaporization: 67.19 kJ/mol; (19)Boiling Point: 418.4 °C at 760 mmHg; (20)Vapour Pressure: 3.29E-07 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful if swallowed. In addition, it is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing and gloves.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc([N+]([O-])=O)c(cc1Cl)NC(=O)C
(2)InChI: InChI=1/C8H6Cl2N2O3/c1-4(13)11-7-2-5(9)6(10)3-8(7)12(14)15/h2-3H,1H3,(H,11,13)
(3)InChIKey: ZEGRPTYRAGSSBH-UHFFFAOYAW