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| CAS No.: | 2564-07-0 |
|---|---|
| Name: | 2-CHLORO-N-(2,3-DIMETHYL-PHENYL)-ACETAMIDE |
| Molecular Structure: | |
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| Formula: | C10H12ClNO |
| Molecular Weight: | 197.664 |
| Synonyms: | 2',3'-Acetoxylidide,2-chloro- (7CI,8CI);2-Chloro-N-(2,3-dimethylphenyl)acetamide;NSC 166431; |
| Density: | 1.187 g/cm3 |
| Melting Point: | 135-136 |
| Boiling Point: | 333.1 °C at 760 mmHg |
| Flash Point: | 155.2 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 29.10000 |
| LogP: | 2.55370 |
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Specification
The CAS registry number of Acetamide,2-chloro-N-(2,3-dimethylphenyl)- is 2564-07-0. This chemical's molecular formula is C10H12ClNO and molecular weight is 197.66. What's more, its IUPAC name is 2-Chloro-N-(2,3-dimethylphenyl)acetamide.
Physical properties about Acetamide,2-chloro-N-(2,3-dimethylphenyl) are: (1)ACD/LogP: 2.55; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.55; (4)ACD/LogD (pH 7.4): 2.55; (5)ACD/BCF (pH 5.5): 50.97; (6)ACD/BCF (pH 7.4): 50.98; (7)ACD/KOC (pH 5.5): 580.41; (8)ACD/KOC (pH 7.4): 580.43; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 55.02 cm3; (15)Molar Volume: 166.4 cm3; (16)Polarizability: 21.81×10-24cm3; (17)Surface Tension: 42.3 dyne/cm; (18)Density: 1.187 g/cm3; (19)Flash Point: 155.2 °C; (20)Enthalpy of Vaporization: 57.59 kJ/mol; (21)Boiling Point: 333.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00014 mmHg at 25 °C.
Preparation of Acetamide,2-chloro-N-(2,3-dimethylphenyl): this chemical can be prepared by Chloroacetyl chloride and 2,3-Dimethyl-aniline.This reaction needs reagents Sodium acetate and Acetic acid.
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Uses of Acetamide,2-chloro-N-(2,3-dimethylphenyl): it can react with 3H-Quinazolin-4-one to give 3H-Quinazolin-4-one.The reaction occurs with reagents Pyridine and other condition of heating for 2 hours. The yield is 68 %.
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You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Nc1cccc(c1C)C)CCl
(2) InChI: InChI=1/C10H12ClNO/c1-7-4-3-5-9(8(7)2)12-10(13)6-11/h3-5H,6H2,1-2H3,(H,12,13)
(3) InChIKey: UAXPAYVQIXNSHW-UHFFFAOYAP