4-Phenoxyphenylacetic acid - CAS 6328-74-1

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

Technical Data

IUPAC Name:	2-(4-phenoxyphenyl)acetic acid
Description:	4-Phenoxyphenylacetic acid (CAS# 6328-74-1) is an arylaliphatic acid used in the preperation of protential inhibitors of collagen-induced aggregation of human thrombocytes. p-Phenyloxyphenylacetic Acid is a predicted metabolite of 6-Amino-4-(4-phenoxyphenylethylamino)quinazoline (A621350).
Molecular Weight:	228.24
Molecular Formula:	C14H12O3
Canonical SMILES:	C1=CC=C(C=C1)OC2=CC=C(C=C2)CC(=O)O
InChI:	InChI=1S/C14H12O3/c15-14(16)10-11-6-8-13(9-7-11)17-12-4-2-1-3-5-12/h1-9H,10H2,(H,15,16)
InChI Key:	VARVNFDGRLLTCI-UHFFFAOYSA-N
Boiling Point:	382.3 °C at 760 mmHg
Melting Point:	72-79 °C
Purity:	95 %
Density:	1.217 g/cm³
Appearance:	White to tan powder, crystals or crystalline powder and/or chunks
MDL:	MFCD00079779
LogP:	3.10600

GHS Hazard Statement:	H302 (88.37%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (11.63%): Causes skin irritation [Warning Skin corrosion/irritation]; H317 (88.37%): May cause an allergic skin reaction [Warning Sensitization, Skin]; H318 (88.37%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H319 (11.63%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (13.95%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]; H400 (88.37%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P313, P337+P317, P362+P364, P391, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
WO-2020229968-A1	Non-lysosomal glucosylceramidase inhibitors and uses thereof	20190510
WO-2020099858-A1	Cephalosporin ciprofloxacin hybrid compounds	20181112
AU-2014363989-A1	Dihydropyridinone and dihydropyridazinone derivatives useful as bromodomain inhibitors	20131209
CA-2932030-A1	Dihydropyridinone and dihydropyridazinone derivatives useful as bromodomain inhibitors	20131209
EP-3089970-A1	Dihydropyridinone and dihydropyridazinone derivatives useful as bromodomain inhibitors	20131209

Complexity:	238
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	228.078644241
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	228.078644241
Rotatable Bond Count:	4
Topological Polar Surface Area:	46.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3