2,2',4,4'-Tetrahydroxybenzophenone - CAS 131-55-5

Catalog:	BB007449
Product Name:	2,2',4,4'-Tetrahydroxybenzophenone
CAS:	131-55-5
Synonyms:	bis(2,4-dihydroxyphenyl)methanone

Technical Data

IUPAC Name:	bis(2,4-dihydroxyphenyl)methanone
Description:	2,2',4,4'-Tetrahydroxybenzophenone (CAS# 131-55-5) is used to protect the skin and materials from the adverse effects of UV-radiation.
Molecular Weight:	246.22
Molecular Formula:	C13H10O5
Canonical SMILES:	C1=CC(=C(C=C1O)O)C(=O)C2=C(C=C(C=C2)O)O
InChI:	InChI=1S/C13H10O5/c14-7-1-3-9(11(16)5-7)13(18)10-4-2-8(15)6-12(10)17/h1-6,14-17H
InChI Key:	WXNRYSGJLQFHBR-UHFFFAOYSA-N
Boiling Point:	349.21 °C (rough estimate)
Melting Point:	197 °C
Purity:	> 95.0 % (T)
Density:	1.526 g/cm³
Solubility:	In water, 8,821 mg/L at 24.99 °C
Appearance:	Yellow to brown crystalline powder
Storage:	Sealed in dry, Room Temperature
Decomposition:	When heated to decomposition it emits toxic fumes of /nitrogen oxides
MDL:	MFCD00002278
LogP:	1.74000
Refractive Index:	1.4825 (estimate)
Stability:	Stable under recommended storage conditions
Vapor Pressure:	1.6X10-11 mm Hg at 25 °C (est)

GHS Hazard Statement:	H302 (99.69%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P272, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-113485072-A	Photoresist composition and application thereof	20210622
CN-113306229-A	Breathable ultraviolet-proof fabric	20210601
CN-113418978-A	Rapid screening method based on swab spray ionization mass spectrum	20210412
CN-113045811-A	One-step ultraviolet crosslinked polyethylene cable insulation and preparation method thereof	20210315
CN-112812341-A	High-thermal-conductivity composite particle/polyimide film with four-needle-shaped structure and preparation method thereof	20210209

PMID	Publication Date	Title	Journal
33049310	20210401	Evaluation of a multiplexed, multispecies nuclear receptor assay for chemical hazard assessment	Toxicology in vitro : an international journal published in association with BIBRA
31629072	20200201	A rapid assay of human thyroid peroxidase activity	Toxicology in vitro : an international journal published in association with BIBRA
30817981	20190415	Low-dose environmental endocrine disruptors, increase aromatase activity, estradiol biosynthesis and cell proliferation in human breast cells	Molecular and cellular endocrinology
29660579	20180601	The effect of dermal benzophenone-2 administration on immune system activity, hypothalamic-pituitary-thyroid axis activity and hematological parameters in male Wistar rats	Toxicology
27410513	20160815	Identification and Molecular Interaction Studies of Thyroid Hormone Receptor Disruptors among Household Dust Contaminants	Chemical research in toxicology

Complexity:	278
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	246.05282342
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	4
Isotope Atom Count:	0
Monoisotopic Mass:	246.05282342
Rotatable Bond Count:	2
Topological Polar Surface Area:	98 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4