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14062-23-8

Basic Information
CAS No.: 14062-23-8
Name: felbinacethyl
Article Data: 4
Molecular Structure:
Molecular Structure of 14062-23-8 (felbinacethyl)
Formula: C16H16 O2
Molecular Weight: 240.302
Synonyms: 4-Biphenylaceticacid, ethyl ester (8CI);Acetic acid, (4-biphenylyl)-, ethyl ester (7CI);Diatec;Ethyl 4-biphenylylacetate;Ethyl p-biphenylylacetate;Felbinac ethylester;LM 001;
Density: 1.072g/cm3
Boiling Point: 357.2 °C at 760 mmHg
Flash Point: 144.1 °C
PSA: 26.30000
LogP: 3.45920
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  • 4-Biphenylacetic acid ethyl ester  CAS NO.14062-23-8

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Specification

The 4-Biphenylacetic acid ethyl ester with the cas number 14062-23-8 is also called [1,1'-Biphenyl]-4-aceticacid, ethyl ester. The IUPAC name is ethyl 2-(4-phenylphenyl)acetate. Its molecular formula is C16H16O2. The product's category is Biphenyl & Diphenyl ether.

The properties of the chemical are: (1)ACD/LogP: 4.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.25; (4)ACD/LogD (pH 7.4): 4.25; (5)ACD/BCF (pH 5.5): 1008.27; (6)ACD/BCF (pH 7.4): 1008.27; (7)ACD/KOC (pH 5.5): 4915.42; (8)ACD/KOC (pH 7.4): 4915.42; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 71.43 cm3; (15)Molar Volume: 224 cm3; (16)Polarizability: 28.31×10-24cm3; (17)Surface Tension: 39.4 dyne/cm; (18)Enthalpy of Vaporization: 60.26 kJ/mol; (19)Vapour Pressure: 2.77×10-5 mmHg at 25°C.

Uses: This chemical can prepare 2-biphenyl-4-yl-acetic acid hydrazide. This reaction needs reagent NH2NH2*H2O and solvent ethanol at temperature of 100 °C. The reaction time is 3.0 hours. The yield is 79%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)Cc1ccc(cc1)c2ccccc2
(2)InChI: InChI=1/C16H16O2/c1-2-18-16(17)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3
(3)InChIKey: NPPJLSILDPVHCM-UHFFFAOYAL

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intravenous 250mg/kg (250mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

GASTROINTESTINAL: NAUSEA OR VOMITING
Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 15, Pg. 3437, 1987.
mouse LD50 intravenous 337mg/kg (337mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 15, Pg. 3437, 1987.
mouse LD50 oral 652mg/kg (652mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 15, Pg. 3437, 1987.
mouse LD50 subcutaneous 646mg/kg (646mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 15, Pg. 3437, 1987.
rat LD50 intravenous 288mg/kg (288mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

GASTROINTESTINAL: OTHER CHANGES
Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 15, Pg. 3437, 1987.
rat LD50 oral 385mg/kg (385mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

GASTROINTESTINAL: OTHER CHANGES
Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 15, Pg. 3437, 1987.
rat LD50 subcutaneous 321mg/kg (321mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

GASTROINTESTINAL: OTHER CHANGES
Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 15, Pg. 3437, 1987.