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62253-94-5

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Basic Information
CAS No.: 62253-94-5
Name: 2-(4-Aminobenzoyl)-2'-chloroacetanilide
Molecular Structure:
Molecular Structure of 62253-94-5 (2-(4-Aminobenzoyl)-2'-chloroacetanilide)
Formula: C15H13ClN2O2
Molecular Weight: 288.733
Synonyms: TIMTEC-BB SBB002994;LABOTEST-BB LT00012700;1-[2-(4-AMINO-BENZOYL)-ACETAMINO]-2-CHLORO-BENZENE;2-(4-AMINOBENZOYL)-2-CHLOROACETANILIDE;4-amino-N-(2-chlorophenyl)-beta-oxobenzenepropionamide
Density: 1.357 g/cm3
Melting Point: 160 °C (dec.)(lit.)
Boiling Point: 578.6 °C at 760 mmHg
Flash Point: 303.7 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 72.19000
LogP: 3.78790
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Specification

This chemical is called 2-(4-Aminobenzoyl)-2'-chloroacetanilide, and its systematic name is 3-(4-aminophenyl)-N-(2-chlorophenyl)-3-oxopropanamide. With the molecular formula of C15H13ClN2O2, its molecular weight is 288.73. The CAS registry number of this chemical is 62253-94-5.

Other characteristics of the 2-(4-Aminobenzoyl)-2'-chloroacetanilide can be summarised as followings: (1)ACD/LogP: 1.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.5; (4)ACD/LogD (pH 7.4): 1.5; (5)ACD/BCF (pH 5.5): 8.17; (6)ACD/BCF (pH 7.4): 8.12; (7)ACD/KOC (pH 5.5): 156.5; (8)ACD/KOC (pH 7.4): 155.51; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 40.62 Å2; (13)Index of Refraction: 1.667; (14)Molar Refractivity: 79.25 cm3; (15)Molar Volume: 212.6 cm3; (16)Polarizability: 31.41×10-24cm3; (17)Surface Tension: 60.5 dyne/cm; (18)Density: 1.357 g/cm3; (19)Flash Point: 303.7 °C; (20)Enthalpy of Vaporization: 86.59 kJ/mol; (21)Boiling Point: 578.6 °C at 760 mmHg; (22)Vapour Pressure: 2.2E-13 mmHg at 25°C. 

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: Clc2ccccc2NC(=O)CC(=O)c1ccc(N)cc1
2.InChI: InChI=1/C15H13ClN2O2/c16-12-3-1-2-4-13(12)18-15(20)9-14(19)10-5-7-11(17)8-6-10/h1-8H,9,17H2,(H,18,20)
3.InChIKey: HNCOMANFPXOETH-UHFFFAOYAT