p-Phenylenediacetic acid - CAS 7325-46-4

Name: p-Phenylenediacetic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB034807
Product Name:	p-Phenylenediacetic acid
CAS:	7325-46-4
Synonyms:	2-[4-(carboxymethyl)phenyl]acetic acid

Technical Data

IUPAC Name:	2-[4-(carboxymethyl)phenyl]acetic acid
Description:	p-Phenylenediacetic acid (CAS# 7325-46-4) is an arenediacetic acid used in the preparation of flurorescent whitening agents. 1,4-Phenylenediacetic Acid has fluorescent properties that allow for use in fluorescent probes.
Molecular Weight:	194.18
Molecular Formula:	C10H10O4
Canonical SMILES:	C1=CC(=CC=C1CC(=O)O)CC(=O)O
InChI:	InChI=1S/C10H10O4/c11-9(12)5-7-1-2-8(4-3-7)6-10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)
InChI Key:	SLWIPPZWFZGHEU-UHFFFAOYSA-N
Boiling Point:	410.7 °C at 760 mmHg
Melting Point:	250-256 °C
Purity:	95 %
Density:	1.345 g/cm³
Appearance:	Light yellow to beige powder
MDL:	MFCD00004354
LogP:	0.94080

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
23124450	20121101	A fivefold interpenetrating diamond-like three-dimensional metal-organic framework: poly[(μ2-benzene-1,4-diacetato)[μ2-1,6-bis(1,2,4-triazol-1-yl)hexane]zinc(II)]	Acta crystallographica. Section C, Crystal structure communications
22199564	20111201	catena-Poly[[(triaqua-cadmium)-μ-1,4-phenyl-enediacetato-κO,O':O'',O'''] dihydrate]	Acta crystallographica. Section E, Structure reports online
21633148	20110601	Poly[(μ3-benzene-1,4-diacetato)[μ2-1,4-bis(1,2,4-triazol-1-yl)butane]cadmium(II)]: self assembly into a three-dimensional supramolecular framework based on [Cd(μ3-benzene-1,4-diacetate)] double chains	Acta crystallographica. Section C, Crystal structure communications
21540529	20110501	A novel two-dimensional (4,4) network based on dinuclear cadmium secondary building units: poly[(μ5-benzene-1,4-diacetato)[μ2-1,4-bis(1,2,4-triazol-1-yl)butane]cadmium(II)]	Acta crystallographica. Section C, Crystal structure communications
19888744	20091207	Study of the influence of the bridge on the magnetic coupling in cobalt(II) complexes	Inorganic chemistry

Complexity:	192
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	194.05790880
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	194.05790880
Rotatable Bond Count:	4
Topological Polar Surface Area:	74.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1