Ethanone,2-[(4-chlorophenyl)amino]-1-phenyl- supplier

Name
2-(4-CHLOROANILINO)-1-PHENYL-1-ETHANONE
EINECS
CAS No. 53181-22-9
Article Data19
CAS DataBase
Density 1.249g/cm³
Solubility
Melting Point 164-166 °C
Formula C₁₄H₁₂ClNO
Boiling Point 429.29 °C at 760 mmHg
Molecular Weight 245.708
Flash Point 213.427 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 2-(4-Chloroanilino)-1-phenylethan-1-one;
PSA 29.10000
LogP 3.70780

Ethanone,2-[(4-chlorophenyl)amino]-1-phenyl- Specification

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

Product Name

2-(4-CHLOROANILINO)-1-PHENYL-1-ETHANONE

Ethanone,2-[(4-chlorophenyl)amino]-1-phenyl- Specification

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