CAS No.54-60-4,N-(4-FLUOROPHENYL)ANTHRANILIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	54-60-4
Name:	N-(4-FLUOROPHENYL)ANTHRANILIC ACID
Article Data:	11

Formula:	C₁₃H₁₀FNO₂
Molecular Weight:	231.226
Synonyms:	Anthranilicacid, N-(p-fluorophenyl)- (7CI,8CI);N-(4-Fluorophenyl)anthranilic acid;N-(p-Fluorophenyl)anthranilic acid;2-[(4-Fluorophenyl)amino]benzoic acid;
Density:	1.342 g/cm³
Melting Point:	199-203 °C(lit.)
Boiling Point:	378.4 °C at 760 mmHg
Flash Point:	182.7 °C
Hazard Symbols:	Xi,C
Risk Codes:	36/37/38
Safety:	26-36
PSA:	49.33000
LogP:	3.34050

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Specification

The Benzoicacid, 2-[(4-fluorophenyl)amino]-, with the CAS registry number 54-60-4, is also known as N-(4-Fluorophenyl)anthranilic acid. This chemical's molecular formula is C₁₃H₁₀FNO₂ and molecular weight is 231.22. What's more, its systematic name is 2-[(4-Fluorophenyl)amino]benzoic acid and its classification code is Drug / Therapeutic Agent. In addition, it belongs to the product category of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts.

Physical properties of Benzoicacid, 2-[(4-fluorophenyl)amino]- are: (1)ACD/LogP: 4.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.31; (4)ACD/LogD (pH 7.4): 1.88; (5)ACD/BCF (pH 5.5): 81.92; (6)ACD/BCF (pH 7.4): 3.08; (7)ACD/KOC (pH 5.5): 296.04; (8)ACD/KOC (pH 7.4): 11.13; (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: 1.646; (14)Molar Refractivity: 62.55 cm³; (15)Molar Volume: 172.2 cm³; (16)Polarizability: 24.79×10^-24cm³; (17)Surface Tension: 55.4 dyne/cm; (18)Density: 1.342 g/cm³; (19)Flash Point: 182.7 °C; (20)Enthalpy of Vaporization: 66.07 kJ/mol; (21)Boiling Point: 378.4 °C at 760 mmHg; (22)Vapour Pressure: 2.12E-06 mmHg at 25°C.

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

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)Nc2ccccc2C(=O)O
(2)InChI: InChI=1/C13H10FNO2/c14-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)13(16)17/h1-8,15H,(H,16,17)
(3)InChIKey: YQDLBCADRCGKQK-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	143 mg/kg (143 mg/kg)		Medicina Experimentalis. Vol. 11, Pg. 389, 1964.