CAS No.17329-87-2,N1-(4-NITROPHENYL)-2-CHLOROACETAMIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	17329-87-2
Name:	N1-(4-NITROPHENYL)-2-CHLOROACETAMIDE
Article Data:	108

Formula:	C₈H₇ClN₂O₃
Molecular Weight:	214.608
Synonyms:	Acetanilide,2-chloro-4'-nitro- (6CI,7CI,8CI);2-Chloro-4'-nitroacetanilide;2-Chloro-N-(4-nitrophenyl)acetamide;2-Chloro-N-(p-nitrophenyl)acetamide;4-Nitro-a-chloroacetanilide;N-(4-Nitrophenyl)-2-chloroacetamide;N-(4-Nitrophenyl)-2-chloroethanamide;N-(4-Nitrophenyl)chloroacetamide;N-(Chloroacetyl)-p-nitroaniline;N-Chloroacetyl-4-nitroaniline;N-Chloroacetyl-4-nitrobenzeneamine;NSC 160922;a-Chloro-N-(4-nitrophenyl)acetamide;a-Chloro-p-nitroacetanilide;
EINECS:	241-464-6
Density:	1.473 g/cm³
Melting Point:	185 - 186oC
Boiling Point:	439.416 °C at 760 mmHg
Flash Point:	219.551 °C
Hazard Symbols:	Xi
Risk Codes:	Xi:; "> Xi:;
PSA:	74.92000
LogP:	2.36830

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Specification

This chemical is called 2-Chloro-4'-nitroacetanilide, and its systematic name is 2-chloro-N-(4-nitrophenyl)acetamide. With the molecular formula of C₈H₇ClN₂O₃, its molecular weight is 214.61. The CAS registry number of this chemical is 17329-87-2.

Other characteristics of the 2-Chloro-4'-nitroacetanilide can be summarised as followings: (1)ACD/LogP: 2.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.045; (4)ACD/LogD (pH 7.4): 2.045; (5)ACD/BCF (pH 5.5): 21.096; (6)ACD/BCF (pH 7.4): 21.095; (7)ACD/KOC (pH 5.5): 308.656; (8)ACD/KOC (pH 7.4): 308.64; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 74.92 Å²; (13)Index of Refraction: 1.631; (14)Molar Refractivity: 51.919 cm³; (15)Molar Volume: 145.742 cm³; (16)Polarizability: 20.582×10^-24cm³; (17)Surface Tension: 59.595 dyne/cm; (18)Density: 1.473 g/cm³; (19)Flash Point: 219.551 °C; (20)Enthalpy of Vaporization: 69.637 kJ/mol; (21)Boiling Point: 439.416 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Preparation of this chemical: The 2-Chloro-4'-nitroacetanilide could be obtained by the reactants of 4-nitro-aniline and chloroacetyl chloride, the solvent of diethyl ether. This reaction should be taken for 3 hours at the temperature of 20 °C. The yield is 95 %.

Uses of this chemical: The 2-Chloro-4'-nitroacetanilide could react with piperidine, and obtain the N-(4-nitro-phenyl)-2-piperidin-1-yl-acetamide. This reaction needs the solvent of acetone, and the yield is 97 %. In addtion, this reaction should be taken for 2 hours. The other condition is heating.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(ccc1NC(=O)CCl)[N+](=O)[O-]
(2)InChI: InChI=1/C8H7ClN2O3/c9-5-8(12)10-6-1-3-7(4-2-6)11(13)14/h1-4H,5H2,(H,10,12)
(3)InChIKey: AZURFBCEYQYATI-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C8H7ClN2O3/c9-5-8(12)10-6-1-3-7(4-2-6)11(13)14/h1-4H,5H2,(H,10,12) |
(5)Std. InChIKey: AZURFBCEYQYATI-UHFFFAOYSA-N