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CAS No.: | 53181-22-9 |
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Name: | 2-(4-CHLOROANILINO)-1-PHENYL-1-ETHANONE |
Article Data: | 19 |
Molecular Structure: | |
Formula: | C14H12ClNO |
Molecular Weight: | 245.708 |
Synonyms: | 2-(4-Chloroanilino)-1-phenylethan-1-one; |
Density: | 1.249g/cm3 |
Melting Point: | 164-166 °C |
Boiling Point: | 429.29 °C at 760 mmHg |
Flash Point: | 213.427 °C |
Hazard Symbols: | Xi |
PSA: | 29.10000 |
LogP: | 3.70780 |
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The Ethanone,2-[(4-chlorophenyl)amino]-1-phenyl-, with the CAS registry number 53181-22-9, is also known as 2-(4-Chloroanilino)-1-phenylethan-1-one. This chemical's molecular formula is C14H12ClNO and molecular weight is 245.7042. What's more, its systematic name is called 2-[(4-Chlorophenyl)amino]-1-phenylethanone. When you are dealing with this chemical, you should be very careful. This chemical is irritating to the skin or other mucous membranes.
Physical properties about Ethanone,2-[(4-chlorophenyl)amino]-1-phenyl- are: (1)ACD/LogP: 2.70; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 248; (6)ACD/BCF (pH 7.4): 248; (7)ACD/KOC (pH 5.5): 1802; (8)ACD/KOC (pH 7.4): 1803; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.1 Å2; (13)Index of Refraction: 1.634; (14)Molar Refractivity: 70.356 cm3; (15)Molar Volume: 196.762 cm3; (16)Surface Tension: 49.745 dyne/cm; (17)Density: 1.249 g/cm3; (18)Flash Point: 213.427 °C; (19)Enthalpy of Vaporization: 68.456 kJ/mol; (20)Boiling Point: 429.29 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C; (22)Melting Point: 164-166 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc2ccc(NCC(=O)c1ccccc1)cc2
(2) InChI: InChI=1/C14H12ClNO/c15-12-6-8-13(9-7-12)16-10-14(17)11-4-2-1-3-5-11/h1-9,16H,10H2
(3) InChIKey: SJWIVINUBMHTIV-UHFFFAOYAO