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| CAS No.: | 613-93-4 |
|---|---|
| Name: | N-METHYLBENZAMIDE |
| Molecular Structure: | |
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| Formula: | C8H9NO |
| Molecular Weight: | 135.16 |
| Synonyms: | N-Methylbenzamide;N-Methylbenzenamide;N-Methylbenzenecarboxamide;NSC 42944;CCRIS 4670;NSC 42944;ZINC00336927;BRN 1209880; |
| EINECS: | 210-362-3 |
| Density: | 1.041 g/cm3 |
| Melting Point: | 76-78 °C |
| Boiling Point: | 307.5 °C at 760 mmHg |
| Flash Point: | 175.9 °C |
| Solubility: | Insoluble in water. |
| Appearance: | white crystals or crystalline powder |
| Hazard Symbols: | Xn |
| Risk Codes: | 20/21/22 |
| Safety: | 24/25 |
| PSA: | 29.10000 |
| LogP: | 1.43710 |
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Consensus Reports
Reported in EPA TSCA Inventory.
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%.
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%.
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. |