Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

Benzoicacid, 2-[(4-fluorophenyl)amino]-

Related Products

Hot Products

Name

Benzoicacid, 2-[(4-fluorophenyl)amino]-

EINECS N/A
CAS No. 54-60-4 Density 1.342 g/cm3
PSA 49.33000 LogP 3.34050
Solubility N/A Melting Point 199-203 °C(lit.)
Formula C13H10FNO2 Boiling Point 378.4 °C at 760 mmHg
Molecular Weight 231.226 Flash Point 182.7 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 54-60-4 (N-(4-FLUOROPHENYL)ANTHRANILIC ACID) Hazard Symbols IrritantXi,CorrosiveC
Synonyms

Anthranilicacid, N-(p-fluorophenyl)- (7CI,8CI);N-(4-Fluorophenyl)anthranilic acid;N-(p-Fluorophenyl)anthranilic acid;2-[(4-Fluorophenyl)amino]benzoic acid;

Article Data 11

Benzoicacid, 2-[(4-fluorophenyl)amino]- 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: 24.79×10-24 cm3; (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.

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 54-60-4