| Identification | More | [Name]
N1-(4,5-DICHLORO-2-NITROPHENYL)ACETAMIDE | [CAS]
5462-30-6 | [Synonyms]
5462-30-6
4,5-DICHLORO-2-NITROACETANILIDE
Dichloro-2-nitro-acetanilide,4,5-
4',5'-DICHLORO-2'-NITROACETANILIDE
4,5-DICHLORO-2-NITRO-N-ACETYLANILINE
N-(4,5-dichloro-2-nitrophenyl)acetamid
N-(4,5-DICHLORO-2-NITROPHENYL)ACETAMIDE
N-(4,5-dichloro-2-aminophenyl)Acetamide
N1-(4,5-DICHLORO-2-NITROPHENYL)ACETAMIDE
4,5 DI CHLORO 2-NITRO ACETANILIDE 98%HPLC
ACETAMIDE, N-(4,5-DICHLORO-2-NITROPHENYL)-
4,5 DICHLORO 2-NITRO ACETANILIDE 99.0 % G.C.
2-(4-chlorophenoxy)-2-sulfanylidene-1,3-dihydro-1,3,2$l^{5}-benzodiazaphosphole | [Molecular Formula]
C8H6Cl2N2O3 | [MDL Number]
MFCD00024301 | [Molecular Weight]
249.05 | [MOL File]
5462-30-6.mol |
| Chemical Properties | Back Directory | [Melting point ]
124-128 °C(lit.) | [Boiling point ]
418.4±45.0 °C(Predicted) | [density ]
1.573±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
powder to crystal | [pka]
12.29±0.70(Predicted) | [color ]
White to Light yellow | [InChI]
InChI=1S/C8H6Cl2N2O3/c1-4(13)11-7-2-5(9)6(10)3-8(7)12(14)15/h2-3H,1H3,(H,11,13) | [InChIKey]
ZEGRPTYRAGSSBH-UHFFFAOYSA-N | [SMILES]
C(NC1=CC(Cl)=C(Cl)C=C1[N+]([O-])=O)(=O)C | [CAS DataBase Reference]
5462-30-6(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves . | [WGK Germany ]
3
| [HS Code ]
2924190090 |
| Hazard Information | Back Directory | [Synthesis]
The general procedure for the synthesis of N1-(4,5-dichloro-2-nitrophenyl)acetamide from N-(3,4-dichlorophenyl)acetamide was as follows: 3,4-dichloroacetanilide (II) (150 g, 0.74 mol) was slowly added to a reactor containing sulfuric acid (270 g, 99%, 2.7 mol) at 13 °C, stirred for 0.5 h and then cooled to 8 °C. Subsequently, fuming sulfuric acid (422 g, 31.1%, 4.61 mol) was slowly added to obtain a mixture. The sulfuric acid concentration of this mixture was 104%, where the molar ratio of 3,4-dichloroacetanilide (II) to sulfuric acid was 1:10. The mixture was further cooled to 3 °C and nitric acid (51 g, 98%, 0.79 mol) was slowly added over a period of 5 hours. The progress of the reaction was monitored by thin layer chromatography (TLC).3,4-Dichloroacetanilide was completely consumed within 1 h to give the product mixture. The product mixture was carefully poured into a mixture of 1650 g of ice with 200 ml of water, maintained at a temperature below 15 °C and stirred for 15 min to form a dispersion. The dispersion was filtered to give a residue containing 2-nitro-4,5-dichloroacetanilide (I). The residue was washed with water until no residual acid remained and dried to give 2-nitro-4,5-dichloroacetanilide (I) (174 g, yield = 95.23%, HPLC purity = 97.83%).HPLC analysis showed that the product contained 1.46% III. | [References]
[1] Patent: WO2018/91978, 2018, A1. Location in patent: Page/Page column 7-8
[2] Journal of Medicinal Chemistry, 1995, vol. 38, # 10, p. 1786 - 1792 |
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