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N-Methylbenzamide

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Name

N-Methylbenzamide

EINECS 210-362-3
CAS No. 613-93-4 Density 1.041 g/cm3
PSA 29.10000 LogP 1.43710
Solubility Insoluble in water. Melting Point 76-78 °C
Formula C8H9NO Boiling Point 307.5 °C at 760 mmHg
Molecular Weight 135.16 Flash Point 175.9 °C
Transport Information N/A Appearance white crystals or crystalline powder
Safety 24/25 Risk Codes 20/21/22
Molecular Structure Molecular Structure of 613-93-4 (N-METHYLBENZAMIDE) Hazard Symbols Xn
Synonyms

N-Methylbenzamide;N-Methylbenzenamide;N-Methylbenzenecarboxamide;NSC 42944;CCRIS 4670;NSC 42944;ZINC00336927;BRN 1209880;

 

N-Methylbenzamide Consensus Reports

Reported in EPA TSCA Inventory.

N-Methylbenzamide Specification

The N-Methylbenzenamide with CAS registry number of 613-93-4 is also known as Benzamide, N-methyl-. The IUPAC name and product name are the same. It belongs to product categories of Amide; Amides; Carbonyl Compounds; Organic Building Blocks. Its EINECS registry number is 210-362-3. In addition, the formula is C8H9NO and the molecular weight is 135.16. This chemical is a white crystals or crystalline powder and should be stored in sealed containers in cool and dry place.

Physical properties about N-Methylbenzenamide are: (1)ACD/LogP: 0.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.86; (4)ACD/LogD (pH 7.4): 0.86; (5)ACD/BCF (pH 5.5): 2.65; (6)ACD/BCF (pH 7.4): 2.65; (7)ACD/KOC (pH 5.5): 69.96; (8)ACD/KOC (pH 7.4): 69.96; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.526; (13)Molar Refractivity: 39.87 cm3; (14)Molar Volume: 129.7 cm3; (15)Surface Tension: 37.1 dyne/cm; (16)Density: 1.041 g/cm3; (17)Flash Point: 175.9 °C; (18)Enthalpy of Vaporization: 54.81 kJ/mol; (19)Boiling Point: 307.5 °C at 760 mmHg; (20)Vapour Pressure: 0.000724 mmHg at 25 °C.

Preparation of N-Methylbenzenamide: it is prepared by reaction of benzoyl chloride with methylamine. The reaction needs solvent diethyl etherand the yield is about 82.5%.

N-Methylbenzenamide is prepared by reaction of benzoyl chloride with methylamine.

Uses of N-Methylbenzenamide: it is used to produce N-chloromethyl-N-methyl-benzamide by reaction with formaldehyde. The reaction occurs with solvent Me3SiCl and other condition of heating for 2 hours. The yield is about 98%.

N-Methylbenzenamide is used to produce N-chloromethyl-N-methyl-benzamide by reaction with formaldehyde.

When you are using this chemical, please be cautious about it. As a chemical, it is harmful by inhalation, in contact with skin and if swallowed. During using it, avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CNC(=O)C1=CC=CC=C1
2. InChI: InChI=1S/C8H9NO/c1-9-8(10)7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10)
3. InChIKey: NCCHARWOCKOHIH-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 840mg/kg (840mg/kg)   Toxicology and Applied Pharmacology. Vol. 19, Pg. 20, 1971.

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