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CAS No.: | 21262-52-2 |
---|---|
Name: | 2'-CHLOROPROPIONANILIDE |
Article Data: | 22 |
Molecular Structure: | |
Formula: | C9H10ClNO |
Molecular Weight: | 183.637 |
Synonyms: | N-Phenyl-2-chloro-2-methylacetamide; |
Density: | 1.218 g/cm3 |
Boiling Point: | 340.232 °C at 760 mmHg |
Flash Point: | 159.567 °C |
PSA: | 29.10000 |
LogP: | 2.32540 |
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The Propanamide,2-chloro-N-phenyl-, with the CAS registry number 21262-52-2, is also known as N-Phenyl-2-chloro-2-methylacetamide. This chemical's molecular formula is C9H10ClNO and molecular weight is 183.63. What's more, its systematic name is 2-chloro-N-phenylpropanamide.
Physical properties of Propanamide,2-chloro-N-phenyl- are: (1)ACD/LogP: 2.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.036; (4)ACD/LogD (pH 7.4): 2.036; (5)ACD/BCF (pH 5.5): 20.754; (6)ACD/BCF (pH 7.4): 20.754; (7)ACD/KOC (pH 5.5): 305.066; (8)ACD/KOC (pH 7.4): 305.068; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.1 Å2; (13)Index of Refraction: 1.577; (14)Molar Refractivity: 49.965 cm3; (15)Molar Volume: 150.784 cm3; (16)Polarizability: 19.808×10-24cm3; (17)Surface Tension: 43.225 dyne/cm; (18)Density: 1.218 g/cm3; (19)Flash Point: 159.567 °C; (20)Enthalpy of Vaporization: 58.377 kJ/mol; (21)Boiling Point: 340.232 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Preparation: this chemical can be prepared by (1-azido-2-chloro-1-phenyl-propoxy)-tert-butyl-dimethyl-silane by heating. This reaction will need reagent decahydronaphthalene. The yield is about 65%.
Uses of Propanamide,2-chloro-N-phenyl-: it can be used to produce N-phenyl-2-pyrrolidinyl-propionamide by heating. It will need solvent toluene with the reaction time of 5 hours. The yield is about 73%.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C(=O)Nc1ccccc1)Cl
(2)Std. InChI: InChI=1S/C9H10ClNO/c1-7(10)9(12)11-8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)
(3)Std. InChIKey: BWWXKHHVIAJJFM-UHFFFAOYSA-N