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| CAS No.: | 5443-33-4 |
|---|---|
| Name: | 5-CHLORO-2-NITROACETYLANILINE |
| Article Data: | 20 |
| Molecular Structure: | |
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| Formula: | C8H7ClN2O3 |
| Molecular Weight: | 214.608 |
| Synonyms: | Acetanilide,5'-chloro-2'-nitro- (6CI);3'-Chloro-6'-nitroacetanilide;5'-Chloro-2'-nitroacetanilide;N-Acetyl-5-chloro-2-nitroaniline;NSC 12464;N-(5-Chloro-2-nitrophenyl)acetamide; |
| EINECS: | 216-661-5 |
| Density: | 1.466 g/cm3 |
| Melting Point: | 126-129℃ |
| Boiling Point: | 405.5 °C at 760 mmHg |
| Flash Point: | 199.1 °C |
| Hazard Symbols: | R26/27/28:; R33:; R51/53:; |
| Risk Codes: | T+:Very toxic; ">  T+:Very toxic; |
| PSA: | 74.92000 |
| LogP: | 2.80280 |
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Specification
The Acetamide, N-(5-chloro-2-nitrophenyl)-, with the CAS registry number 5443-33-4, is also known as 5'-Chloro-2'-nitroacetanilide. This chemical's molecular formula is C8H7ClN2O3 and molecular weight is 214.61. What's more, its systematic name is N-(5-Chloro-2-nitrophenyl)acetamide.
Physical properties of Acetamide, N-(5-chloro-2-nitrophenyl)- are: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.78; (4)ACD/LogD (pH 7.4): 1.78; (5)ACD/BCF (pH 5.5): 13.25; (6)ACD/BCF (pH 7.4): 13.25; (7)ACD/KOC (pH 5.5): 221.26; (8)ACD/KOC (pH 7.4): 221.26; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 66.13 Å2; (13)Index of Refraction: 1.628; (14)Molar Refractivity: 51.96 cm3; (15)Molar Volume: 146.3 cm3; (16)Polarizability: 20.6×10-24 cm3; (17)Surface Tension: 57.2 dyne/cm; (18)Density: 1.466 g/cm3; (19)Flash Point: 199.1 °C; (20)Enthalpy of Vaporization: 65.71 kJ/mol; (21)Boiling Point: 405.5 °C at 760 mmHg; (22)Vapour Pressure: 8.7E-07 mmHg at 25°C.
Uses of Acetamide, N-(5-chloro-2-nitrophenyl)-: it can be used to produce 3,3'-diamino-4,4'-dinitrodiphenyl sulfide by heating. It will need reagent Na2S and solvents ethanol, H2O with the reaction time of 12 hours. The yield is about 38.5%.
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You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1c(cc(Cl)cc1)NC(=O)C
(2)InChI: InChI=1S/C8H7ClN2O3/c1-5(12)10-7-4-6(9)2-3-8(7)11(13)14/h2-4H,1H3,(H,10,12)
(3)InChIKey: YWANGSCDWBUSBK-UHFFFAOYSA-N