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1566-81-0

Basic Information
CAS No.: 1566-81-0
Name: 2-[3-[3-(Trifluoromethyl)phenyl]ureido]benzoic acid
Molecular Structure:
Molecular Structure of 1566-81-0 (2-[3-[3-(Trifluoromethyl)phenyl]ureido]benzoic acid)
Formula: C15H11F3N2O3
Molecular Weight: 324.2569
Synonyms: NS-1652
EINECS:
Density: 1.502 g/cm3
Melting Point:
Boiling Point: 355.925 °C at 760 mmHg
Flash Point: 169.057 °C
Solubility:
Appearance:
Hazard Symbols:
Risk Codes:
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Transport Information:
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  • 2-[3-[3-(Trifluoromethyl)phenyl]ureido]benzoic acid

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    1566-81-0

    2-[3-[3-(Trifluoromethyl)phenyl]ureido]benzoic acid

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    2-[3-[3-(Trifluoromethyl)phenyl]ureido]benzoic acid Application:Organic Chemicals

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  •  Henan Tianfu Chemical Co., Ltd.

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  • NS-1652,1566-81-0

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    1566-81-0

    NS-1652,1566-81-0

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    instock with good quality and wholesale price Storage:Keep in a cool & dry place Package:Packing material and QTY as your request Application:Pharma;Industry;other application Transportation:Express or as your request Port:Any port of China

    Wuhan MoonZY Biological Technology Co.,Ltd (MoonzyBio)is located in Wuhan city,hubei province,China,we have a group of senior technical backbones, specialized in R & D and sales in

  •  Wuhan MoonZY Biological Technology Co.,Ltd

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Specification

The 2-[3-[3-(Trifluoromethyl)phenyl]ureido]benzoic acid is an organic compound with the formula C15H11F3N2O3. The systematic name of this chemical is 2-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)benzoic acid. With the CAS registry number 1566-81-0, it is also named as benzoic acid, 2-[[[[3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 4.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 49; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 164; (8)ACD/KOC (pH 7.4): 11; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 78.4 Å2; (13)Index of Refraction: 1.632; (14)Molar Refractivity: 76.982 cm3; (15)Molar Volume: 215.897 cm3; (16)Polarizability: 30.518×10-24 cm3; (17)Surface Tension: 53.828 dyne/cm; (18)Density: 1.502 g/cm3; (19)Flash Point: 169.057 °C; (20)Enthalpy of Vaporization: 63.431 kJ/mol; (21)Boiling Point: 355.925 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Preparation of 2-[3-[3-(Trifluoromethyl)phenyl]ureido]benzoic acid: It is obtained by condensation of 3-(trifluoromethyl)phenyl isocyanate (I) with anthranilic acid (II).

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(Nc1ccccc1C(=O)O)Nc2cc(ccc2)C(F)(F)F
2. InChI:InChI=1/C15H11F3N2O3/c16-15(17,18)9-4-3-5-10(8-9)19-14(23)20-12-7-2-1-6-11(12)13(21)22/h1-8H,(H,21,22)(H2,19,20,23)
3. InChIKey:CTNQAPPDQTYTHM-UHFFFAOYAV