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Basic Information
CAS No.: 19013-11-7
Name: 4-METHYL-3-NITROBENZAMIDE
Article Data: 9
Molecular Structure:
Molecular Structure of 19013-11-7 (4-METHYL-3-NITROBENZAMIDE)
Formula: C8H8N2O3
Molecular Weight: 180.163
Synonyms: p-Toluamide,3-nitro- (8CI);4-Methyl-3-nitrobenzamide;
EINECS: 242-752-4
Density: 1.322 g/cm3
Melting Point: 164-165°C
Boiling Point: 291.7 °C at 760 mmHg
Flash Point: 130.2 °C
Risk Codes: 22
Safety: 22-36/37
PSA: 88.91000
LogP: 2.22560
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Specification

The Benzamide,4-methyl-3-nitro- is an organic compound with the formula C8H8N2O3. The systematic name of this chemical is 4-Methyl-3-nitrobenzamide. With the CAS registry number 19013-11-7, it is also named as 3-Nitro-4-Methyl Benzamide. 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,4-methyl-3-nitro- are: (1)ACD/LogP: 1.14; (2)ACD/LogD (pH 5.5): 1.14; (3)ACD/LogD (pH 7.4): 1.14; (4)ACD/BCF (pH 5.5): 4.3; (5)ACD/BCF (pH 7.4): 4.3; (6)ACD/KOC (pH 5.5): 98.81; (7)ACD/KOC (pH 7.4): 98.81; (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: 1.599; (13)Molar Refractivity: 46.55 cm3; (14)Molar Volume: 136.2 cm3; (15)Polarizability: 18.45×10-24 cm3; (16)Surface Tension: 57.2 dyne/cm; (17)Density: 1.322 g/cm3; (18)Flash Point: 130.2 °C; (19)Enthalpy of Vaporization: 53.11 kJ/mol; (20)Boiling Point: 291.7 °C at 760 mmHg; (21)Vapour Pressure: 0.00192 mmHg at 25 °C.

Preparation: this chemical can be prepared by 4-Methyl-benzonitrile. This reaction will need reagents KNO3, conc. H2SO4. The reaction time is 16 hours. The yield is about 96%.

Benzamide,4-methyl-3-nitro- can be obtained by 4-Methyl-benzonitrile

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. When you are using it, do not breathe dust and wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C8H8N2O3/c1-5-2-3-6(8(9)11)4-7(5)10(12)13/h2-4H,1H3,(H2,9,11)
(2)InChIKey: YEUGEQUFPMJGCD-UHFFFAOYAF
(3)Std. InChI: InChI=1S/C8H8N2O3/c1-5-2-3-6(8(9)11)4-7(5)10(12)13/h2-4H,1H3,(H2,9,11)
(4)Std. InChIKey: YEUGEQUFPMJGCD-UHFFFAOYSA-N