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Basic Information
CAS No.: 5555-13-5
Name: alpha-(4-Biphenylyloxy)propionic acid
Article Data: 4
Molecular Structure:
Molecular Structure of 5555-13-5 (alpha-(4-Biphenylyloxy)propionic acid)
Formula: C15H14 O3
Molecular Weight: 242.274
Synonyms: Propionicacid, 2-(4-biphenylyloxy)- (7CI,8CI); NSC 522948; a-(4-Phenylphenoxy)propionic acid
Density: 1.171g/cm3
Melting Point: 158-159 °C
Boiling Point: 412.4°Cat760mmHg
Flash Point: 155.7°C
Hazard Symbols: A poison.
Safety: A poison by intravenous route. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA: 46.53000
LogP: 3.20550
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Chemistry

Empirical Formula of alpha-(4-Biphenylyloxy)propionic acid (CAS NO.5555-13-5): C15H14O3
Molecular Weight: 242.2699 g/mol
Index of Refraction: 1.574
Density: 1.171 g/cm3
Flash Point: 155.7 °C
Enthalpy of Vaporization: 70.12 kJ/mol
Boiling Point: 412.4 °C at 760 mmHg
Vapour Pressure: 1.54E-07 mmHg at 25 °C
Structure of alpha-(4-Biphenylyloxy)propionic acid (CAS NO.5555-13-5):
                           
IUPAC Name: 2-(4-Phenylphenoxy)propanoic acid
Canonical SMILES: CC(C(=O)O)OC1=CC=C(C=C1)C2=CC=CC=C2
InChI: InChI=1S/C15H14O3/c1-11(15(16)17)18-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11H,1H3,(H,16,17)
InChIKey: FUPGQEMJIGUBGO-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

ivn-mus LD50:180 mg/kg

     CSLNX*    U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#02798 .

Safety Profile

A poison by intravenous route. When heated to decomposition alpha-(4-Biphenylyloxy)propionic acid (CAS NO.5555-13-5) emits acrid smoke and irritating vapors.

Specification

 alpha-(4-Biphenylyloxy)propionic acid , its cas register number is 5555-13-5. It also can be called Propionic acid, 2-(4-biphenylyloxy)- ; Propanoic acid, 2-([1,1'-biphenyl]-4-yloxy)- ; and 2-(Biphenyl-4-yloxy)propanoic acid .