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16588-15-1

Basic Information
CAS No.: 16588-15-1
Name: Benzamide,2-chloro-5-nitro-
Molecular Structure:
Molecular Structure of 16588-15-1 (Benzamide,2-chloro-5-nitro-)
Formula: C7H5ClN2O3
Molecular Weight: 200.5792
Synonyms: 2-Chloro-5-nitrobenzamide;NSC 145029;
EINECS:
Density: 1.52 g/cm3
Melting Point: 178 °C
Boiling Point: 299 °C at 760 mmHg
Flash Point: 134.6 °C
Solubility:
Appearance:
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39
Transport Information:
PSA: 88.91000
LogP: 2.57060
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Specification

The Benzamide,2-chloro-5-nitro- is an organic compound with the formula C7H5ClN2O3. The IUPAC name of this chemical is 2-Chloro-5-nitrobenzamide. The CAS registry number of this chemical is 16588-15-1. The product's categories are Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides and Salts. Besides, it should be stored in a sealed, dry, well-ventilated, lightproof place.

Physical properties about Benzamide,2-chloro-5-nitro- are: (1)ACD/LogP: 0.92 ; (2)ACD/LogD (pH 5.5): 0.92; (3)ACD/LogD (pH 7.4): 0.92; (4)ACD/BCF (pH 5.5): 2.96; (5)ACD/BCF (pH 7.4): 2.96; (6)ACD/KOC (pH 5.5): 75.59; (7)ACD/KOC (pH 7.4): 75.59; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 66.13 Å2; (12)Index of Refraction: 1.624; (13)Molar Refractivity: 46.62 cm3; (14)Molar Volume: 131.9 cm3; (15)Polarizability: 18.48×10-24 cm3; (16)Surface Tension: 63.9 dyne/cm; (17)Density: 1.52 g/cm3; (18)Flash Point: 134.6 °C; (19)Enthalpy of Vaporization: 53.9 kJ/mol; (20)Boiling Point: 299 °C at 760 mmHg; (21)Vapour Pressure: 0.00122 mmHg at 25 °C.

Preparation: this chemical can be prepared by 2-Chloro-N-(1-methyl-3-oxo-but-1-enyl)-5-nitro-benzamide. This reaction will need reagent 2N H2SO4. The reaction time is 30 min. The yield is about 60%.

 

Uses of Benzamide,2-chloro-5-nitro-: it can be used to produce 2-Anilino-5-nitro-benzoic acid amide. The reaction time is 3 hours. The yield is about 98%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C7H5ClN2O3/c8-6-2-1-4(10(12)13)3-5(6)7(9)11/h1-3H,(H2,9,11)
(2)InChIKey: SDHXWAPVLOGAJR-UHFFFAOYAD
(3)Std. InChI: InChI=1S/C7H5ClN2O3/c8-6-2-1-4(10(12)13)3-5(6)7(9)11/h1-3H,(H2,9,11)
(4)Std. InChIKey: SDHXWAPVLOGAJR-UHFFFAOYSA-N