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| CAS No.: | 4285-42-1 |
|---|---|
| Name: | N-METHYL-N-PHENYLCARBAMOYL CHLORIDE |
| Article Data: | 38 |
| Molecular Structure: | |
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|
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| Formula: | C8H8ClNO |
| Molecular Weight: | 169.611 |
| Synonyms: | Methyl(phenyl)carbamic chloride;Carbaniloyl chloride,N-methyl-;N-Methyl-N-phenylcarbamoyl chloride;Carbamic chloride,methyl(phenyl)-;Carbamic chloride, methylphenyl-;Carbamoyl chloride, methylphenyl-; |
| EINECS: | 224-288-4 |
| Density: | 1.247 g/cm3 |
| Melting Point: | 87-90 °C |
| Boiling Point: | 280 °C at 760 mmHg |
| Flash Point: | 123.1 °C |
| Appearance: | Light yellow or green solid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34-36/37 |
| Safety: | 26-27-28-36/37/39-45 |
| Transport Information: | UN 3261 |
| PSA: | 20.31000 |
| LogP: | 2.48160 |
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Specification
The Carbamic chloride,N-methyl-N-phenyl-, with the CAS registry number of 4285-42-1, is also known as Carbaniloyl chloride,N-methyl-. It belongs to the product categories of Acid Halides; Carbonyl Compounds; Organic Building Blocks. Its EINECS registry number is 224-288-4. The molecular formula of this chemical is C8H8ClNO and its molecular weight is 169.61. What's more, its IUPAC name is N-Methyl-N-phenylcarbamoyl chloride. In addition, it must be stored in airtight containers and placed in a dry, cool place.
Physical properties about Carbamic chloride,N-methyl-N-phenyl- are: (1)ACD/LogP: 1.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.99; (4)ACD/LogD (pH 7.4): 1.99; (5)ACD/BCF (pH 5.5): 19.28; (6)ACD/BCF (pH 7.4): 19.28; (7)ACD/KOC (pH 5.5): 289.39; (8)ACD/KOC (pH 7.4): 289.39; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.583; (14)Molar Refractivity: 45.44 cm3; (15)Molar Volume: 135.9 cm3; (16)Polarizability: 18.01×10-24 cm3; (17)Surface Tension: 45.3 dyne/cm; (18)Density: 1.247 g/cm3; (19)Flash Point: 123.1 °C; (20)Enthalpy of Vaporization: 51.87 kJ/mol; (21)Boiling Point: 280 °C at 760 mmHg; (22)Vapour Pressure: 0.00388 mmHg at 25 °C.
Preparation of Carbamic chloride,N-methyl-N-phenyl-: this chemical is prepared by reaction of N-Methyl-aniline with Carbonyl dichloride. The reaction needs reagent Ethyl acetate.
Uses of Carbamic chloride,N-methyl-N-phenyl-: it is used to produce other chemicals. For example, it can react with Pyridin-4-ol to produce 4-Oxo-4H-pyridine-1-carboxylic acid methyl-phenyl-amide by heating. This reaction needs solvent Acetonitrile. The reaction time is 12 hours. The yield is about 51 %.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes and respiratory system. In addition, this chemical may cause burns and may destroy living tissue on contact. Hence, take off immediately all contaminated clothing. After contact with skin, wash immediately with medical advice. During 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. What's more, in case of accident or if you feel unwell seek medical advice immediately.
You can still convert the following datas into molecular structure:
(1) SMILES: ClC(=O)N(c1ccccc1)C
(2) InChI: InChI=1/C8H8ClNO/c1-10(8(9)11)7-5-3-2-4-6-7/h2-6H,1H3
(3) InChIKey: CPGWSLFYXMRNDV-UHFFFAOYAN