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4638-48-6

Basic Information
CAS No.: 4638-48-6
Name: 5-CHLOROSALICYLANILIDE
Article Data: 21
Molecular Structure:
Molecular Structure of 4638-48-6 (5-CHLOROSALICYLANILIDE)
Formula: C13H10ClNO2
Molecular Weight: 247.681
Synonyms: Salicylanilide,5-chloro- (6CI,7CI,8CI);5-Chlorosalicylanilide;NSC 402600;WR 13084;5-chloro-2-hydroxy-N-phenylbenzamide;benzamide, 5-chloro-2-hydroxy-N-phenyl-;5-Chlorosalicyclanilide;
EINECS: 225-065-4
Density: 1.386 g/cm3
Melting Point: 210-212 °C(lit.)
Boiling Point: 336.3 °C at 760 mmHg
Flash Point: 157.2 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-37/39
PSA: 49.33000
LogP: 3.37090
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Specification

The Benzamide,5-chloro-2-hydroxy-N-phenyl-, with the CAS registry number 4638-48-6 and EINECS registry number 225-065-4, has the systematic name and IUPAC name of 5-chloro-2-hydroxy-N-phenylbenzamide. And the molecular formula of the chemical is C13H10ClNO2.

The characteristics of Benzamide,5-chloro-2-hydroxy-N-phenyl- are as followings: (1)ACD/LogP: 4.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.7; (4)ACD/LogD (pH 7.4): 4.11; (5)ACD/BCF (pH 5.5): 2162.81; (6)ACD/BCF (pH 7.4): 557.59; (7)ACD/KOC (pH 5.5): 8398.03; (8)ACD/KOC (pH 7.4): 2165.08; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.681; (14)Molar Refractivity: 67.6 cm3; (15)Molar Volume: 178.6 cm3; (16)Polarizability: 26.8×10-24cm3; (17)Surface Tension: 60.2 dyne/cm; (18)Density: 1.386 g/cm3; (19)Flash Point: 157.2 °C; (20)Enthalpy of Vaporization: 60.24 kJ/mol; (21)Boiling Point: 336.3 °C at 760 mmHg; (22)Vapour Pressure: 5.81E-05 mmHg at 25°C. 

Uses of Benzamide,5-chloro-2-hydroxy-N-phenyl-: It can react with carbonochloridic acid ethyl ester to produce 6-chloro-3-phenyl-benzo[e][1,3]oxazine-2,4-dione. This reaction will need reagent pyridine. The reaction time is 1 hour with heating, and the yield is about 54%. 


 
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc2cc(C(=O)Nc1ccccc1)c(O)cc2
(2)InChI: InChI=1/C13H10ClNO2/c14-9-6-7-12(16)11(8-9)13(17)15-10-4-2-1-3-5-10/h1-8,16H,(H,15,17)
(3)InChIKey: KGYNGVVNFRUOOZ-UHFFFAOYAI