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Acetamide,2-chloro-N-(2-nitrophenyl)-

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Name

Acetamide,2-chloro-N-(2-nitrophenyl)-

EINECS N/A
CAS No. 10147-70-3 Density 1.472 g/cm3
PSA 74.92000 LogP 2.36830
Solubility N/A Melting Point 91-92 °C
Formula C8H7ClN2O3 Boiling Point 419.5 °C at 760 mmHg
Molecular Weight 214.608 Flash Point 207.5 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 10147-70-3 (ALPHA-CHLORO-2-NITROACETANILIDE) Hazard Symbols IrritantXi
Synonyms

Acetanilide,2-chloro-2'-nitro- (6CI,7CI,8CI);2-Chloro-2'-nitroacetanilide;2-Chloro-N-(2-nitrophenyl)acetamide;N-(2-Nitrophenyl)chloroacetamide;N-Chloroacetyl-2-nitroaniline;NSC 8365;

Article Data 58

Acetamide,2-chloro-N-(2-nitrophenyl)- Specification

The Acetamide,2-chloro-N-(2-nitrophenyl)-, with the CAS registry number 10147-70-3, is also known as N-Chloroacetyl-2-nitroaniline. This chemical's molecular formula is C8H7ClN2O3 and formula weight is 214.61. What's more, its IUPAC name is called 2-chloro-N-(2-nitrophenyl)acetamide.

Physical properties of Acetamide,2-chloro-N-(2-nitrophenyl)-: (1)ACD/LogP: 1.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.55; (4)ACD/LogD (pH 7.4): 1.55; (5)ACD/BCF (pH 5.5): 8.82; (6)ACD/BCF (pH 7.4): 8.82; (7)ACD/KOC (pH 5.5): 165.32; (8)ACD/KOC (pH 7.4): 165.31; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.63; (13)Molar Refractivity: 51.91 cm3; (14)Molar Volume: 145.7 cm3; (15)Surface Tension: 59.5 dyne/cm; (16)Density: 1.472 g/cm3; (17)Flash Point: 207.5 °C; (18)Enthalpy of Vaporization: 67.33 kJ/mol; (19)Boiling Point: 419.5 °C at 760 mmHg; (20)Vapour Pressure: 3.01E-07 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-nitro-aniline and chloroacetyl chloride. This reaction will need reagent glacial acetic acid. The reaction time is 1.5 hours with reaction temperature of 0 - 20 ℃. The yield is about 45%.

Uses of Acetamide,2-chloro-N-(2-nitrophenyl)-: it can be used to produce 2-benzoimidazol-1-yl-N-(2-nitro-phenyl)-acetamide by heating. This reaction will need solvent methanol with reaction time of 8 hours. The yield is about 68%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. 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, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C(=C1)NC(=O)CCl)[N+](=O)[O-]
(2)InChI: InChI=1S/C8H7ClN2O3/c9-5-8(12)10-6-3-1-2-4-7(6)11(13)14/h1-4H,5H2,(H,10,12)
(3)InChIKey: XXWVCPLQFJVURO-UHFFFAOYSA-N

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