p-Terphenyl-4-carboxylic acid - CAS 5731-15-7

Catalog:	BB029642
Product Name:	p-Terphenyl-4-carboxylic acid
CAS:	5731-15-7
Synonyms:	[1,1':4',1''-Terphenyl]-4-carboxylicacid; PTCA

Catalog	Size	Price	Stock	Quantity
BB029642	1 g	$798	In stock

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Technical Data

IUPAC Name:	4-(4-phenylphenyl)benzoic acid
Description:	p-Terphenyl-4-carboxylic acid has been employed as a reagent in the synthesis of diverse compounds, including p-terphenyl-3-carboxylic acid and p-terphenyl-2-carboxylic acid.
Molecular Weight:	274.31
Molecular Formula:	C19H14O2
Canonical SMILES:	C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)O
InChI:	InChI=1S/C19H14O2/c20-19(21)18-12-10-17(11-13-18)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H,(H,20,21)
InChI Key:	BJHHREPACLZKDA-UHFFFAOYSA-N
Boiling Point:	598 °C at 760 mmHg
Melting Point:	305 °C (dec.)
Purity:	95%
Density:	1.15 g/cm³
Appearance:	White to yellow powder or crystals
MDL:	MFCD00419452
LogP:	4.71880

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P273, P280, P301+P312, P305+P351+P338, P330, P337+P313, P391, and P501
Signal Word:	Warning

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Complexity:	330
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	274.099379685
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	274.099379685
Rotatable Bond Count:	3
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.7