4-Biphenylcarboxylic acid - CAS 92-92-2

Name: 4-Biphenylcarboxylic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	4-phenylbenzoic acid
Description:	Biphenyl-4-carboxylic acid (CAS# 92-92-2) is a useful research chemical.
Molecular Weight:	198.22
Molecular Formula:	C13H10O2
Canonical SMILES:	C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O
InChI:	InChI=1S/C13H10O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,14,15)
InChI Key:	NNJMFJSKMRYHSR-UHFFFAOYSA-N
Boiling Point:	373 °C
Melting Point:	223-228 °C
Purity:	98+ %
Density:	1.284 g/cm³ (20 °C)
Appearance:	White to light yellow crystal powder
Storage:	Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
MDL:	MFCD00002553
LogP:	3.05180

GHS Hazard Statement:	H302 (75.47%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
23891183	20130901	Peroxisome proliferator-activated receptor delta antagonists inhibit hepatitis C virus RNA replication	Bioorganic & medicinal chemistry letters
22584616	20120628	Intercalation of organic sensitisers into layered europium hydroxide and enhanced luminescence property	Dalton transactions (Cambridge, England : 2003)
22670898	20120618	Synthesis, structures, and properties of two three-dimensional metal-organic frameworks, based on concurrent ligand extension	Inorganic chemistry
22025482	20120116	Evaporation-driven self-assembly of colloidal silica dispersion: new insights on janus particles	Macromolecular rapid communications
22214468	20120103	Congenital diaphragmatic hernia	Orphanet journal of rare diseases

Complexity:	211
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	198.068079557
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	198.068079557
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5